CAS 1069114-13-1

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]urea

Description:

N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]urea, with CAS number 1069114-13-1, is a complex organic compound characterized by its unique structural features, including a urea functional group and multiple aromatic rings. The presence of trifluoromethyl groups enhances its lipophilicity and may influence its biological activity. The compound's stereochemistry, indicated by the (1S,2S) configuration, suggests specific spatial arrangements that can affect its interaction with biological targets. Additionally, the dinaphthyl and cyclohexyl moieties contribute to its overall rigidity and potential for specific binding interactions. This compound may exhibit significant pharmacological properties, making it of interest in medicinal chemistry and drug development. Its synthesis and characterization would typically involve advanced organic chemistry techniques, and its stability, solubility, and reactivity would be critical for applications in research or therapeutic contexts.

Formula: C₃₇H₃₁F₆N₃O

InChI: InChI=1S/C37H31F6N3O/c38-36(39,40)26-17-27(37(41,42)43)19-28(18-26)44-35(47)45-31-11-5-6-12-32(31)46-20-24-15-13-22-7-1-3-9-29(22)33(24)34-25(21-46)16-14-23-8-2-4-10-30(23)34/h1-4,7-10,13-19,31-32H,5-6,11-12,20-21H2,(H2,44,45,47)

InChI key: InChIKey=BDXWHNAYVACKSW-UHFFFAOYSA-N

SMILES: N(C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O)C2C(N3CC4=C(C=5C=6C(C=CC5C3)=CC=CC6)C=7C(C=C4)=CC=CC7)CCCC2

Synonyms:

• N-[3,5-Bis(trifluoromethyl)phenyl]-N′-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]urea
• Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N′-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]-

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]urea

CAS: 1069114-13-1

Formula: C₃₇H₃₁F₆N₃O

Purity: 97%

Color and Shape: Solid

Molecular weight: 647.6520

Ref: IN-DA00ILU4

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]urea

CAS: 1069114-13-1

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]cyclohexyl]urea

Purity: 97%

Molecular weight: 647.65g/mol

Ref: 54-PC110285

N-[3,5-Bis(trifluoromethyl)phenyl]-N’-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]urea

CAS: 1069114-13-1

Purity: 97%

Molecular weight: 647.24

Ref: 10-F552026