(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine
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(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine
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CAS No:
252253-57-9
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Formula:
C14H11ClF3NO
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Chemical Name:
(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine
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Synonyms:
(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine;(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-\nbenzoxazine;2H-3,1-Benzoxazine, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-, (4S)-
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CAS No:
(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine Basic Attributes
301.69
301.0481262
(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoroMethyl)-2H-3,1- benzoxazine Use and Manufacturing
(4S)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazine, is used for the synthesis of Efavirenz (E425000), which is a nonnucleoside HIV-1 reverse transcriptase inhibitor, used for the treatment of a human immunodeficiency virus (HIV) type 1.
Computed Properties
Molecular Weight:301.69
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:301.0481262
Monoisotopic Mass:301.0481262
Topological Polar Surface Area:21.3
Heavy Atom Count:20
Complexity:450
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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