11-(3-butoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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![11-(3-butoxyphenyl)-3,3-dimethyl-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/20220812/00e3a8857fc849549f43410ec3f8eb95.png "11-(3-butoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one")
11-(3-butoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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CAS No:
353772-54-0
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Formula:
C27H29F3N2O3
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Chemical Name:
11-(3-butoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Synonyms:
11-(3-butoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;AK-968/13150391;STK139412;STL039844;AKOS003792309;AKOS005693796;MCULE-1913119388;1-[11-(3-butoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone
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CAS No:
11-(3-butoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one Basic Attributes
486.5259696
486.213
Computed Properties
Molecular Weight:486.5
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:486.21302728
Monoisotopic Mass:486.21302728
Topological Polar Surface Area:58.6
Heavy Atom Count:35
Complexity:838
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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