3-(4-butoxyphenyl)-11-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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![3-(4-butoxyphenyl)-11-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d743c22aef804f5b81a83cd8d0f0f54b.png "3-(4-butoxyphenyl)-11-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one")
3-(4-butoxyphenyl)-11-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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CAS No:
354539-43-8
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Formula:
C31H29F3N2O3
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Chemical Name:
3-(4-butoxyphenyl)-11-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Synonyms:
3-(4-butoxyphenyl)-11-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;AK-968/15361142;STK741911;ZINC08445122;AKOS005524386;MCULE-9290619664;9-(4-butoxyphenyl)-6-phenyl-5-(2,2,2-trifluoroacetyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
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CAS No:
3-(4-butoxyphenyl)-11-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one Basic Attributes
534.5687696
534.213
Computed Properties
Molecular Weight:534.6
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:534.21302728
Monoisotopic Mass:534.21302728
Topological Polar Surface Area:58.6
Heavy Atom Count:39
Complexity:905
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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