1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone
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![1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bb7438808d6b45a5818ab71783f5498e.png "1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone")
1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone
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CAS No:
42021-35-2
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Formula:
C24H26FN3O
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Chemical Name:
1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone
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Synonyms:
1-Butanone,1-(4-fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-;1-Butanone,1-(4-fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl)-,(S)-;Pyrazino[1′,2′:1,6]pyrido[3,4-b]indole,1-butanone deriv.;1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone;Centbutindole,(-)-
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CAS No:
1-(4-Fluorophenyl)-4-[(12aS)-3,4,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indol-2(1H)-yl]-1-butanone Basic Attributes
391.5 g/mol
391.48
255-630-0
D71R962IV6
Computed Properties
Molecular Weight:391.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:391.20599062
Monoisotopic Mass:391.20599062
Topological Polar Surface Area:39.3
Heavy Atom Count:29
Complexity:579
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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