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CAS 209414-26-6

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(4S)-6-chloro-4-(cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine

Description:
The chemical substance known as (4S)-6-chloro-4-(cyclopropylethynyl)-2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine, with the CAS number 209414-26-6, is characterized by its complex molecular structure that includes a benzoxazine core, which is a bicyclic compound featuring both aromatic and heterocyclic characteristics. This compound contains various functional groups, including a chloro group, a trifluoromethyl group, and an ethynyl group attached to a cyclopropyl moiety, contributing to its unique chemical reactivity and potential biological activity. The presence of the methoxyphenyl group enhances its lipophilicity, which may influence its solubility and interaction with biological systems. The stereochemistry indicated by the (4S) designation suggests specific spatial arrangements that can affect the compound's pharmacological properties. Overall, this substance may exhibit interesting properties for research in medicinal chemistry, particularly in the development of pharmaceuticals, due to its diverse functional groups and structural complexity.
Formula:C21H17ClF3NO2
InChI:InChI=1/C21H17ClF3NO2/c1-27-16-7-4-14(5-8-16)19-26-18-9-6-15(22)12-17(18)20(28-19,21(23,24)25)11-10-13-2-3-13/h4-9,12-13,19,26H,2-3H2,1H3/t19?,20-/m0/s1
SMILES:COc1ccc(cc1)C1Nc2ccc(cc2[C@@](C#CC2CC2)(C(F)(F)F)O1)Cl
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