Catalog No.:AA00C2BG

209414-26-6 | (4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-2-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-3,1-benzoxazine(Mixture of 2 Diastereomers)

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Technical Information

Catalog Number:

AA00C2BG

Chemical Name:

(4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-2-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-3,1-benzoxazine(Mixture of 2 Diastereomers)

CAS Number:

209414-26-6

Molecular Formula:

C21H17ClF3NO2

Molecular Weight:

407.8134

MDL Number:

MFCD16251295

SMILES:

COc1ccc(cc1)C1Nc2ccc(cc2[C@@](O1)(C#CC1CC1)C(F)(F)F)Cl

Properties

Computed Properties

Complexity:

633

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

5.9

Literature

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SDS

209414-26-6 | (4S)-6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-2-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-3,1-benzoxazine (Mixture of 2 Diastereomers)