11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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CAS No:
362622-07-9
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Formula:
C22H21BrN2O3
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Chemical Name:
11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Synonyms:
11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;Oprea1_280095;STK564864;STK956937;AKOS003793388;AKOS005490593;MCULE-1194011576;AK-968/36803003;11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol
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CAS No:
11-(6-bromo-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one Basic Attributes
441.31774
440.074
Computed Properties
Molecular Weight:441.3
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:440.07356
Monoisotopic Mass:440.07356
Topological Polar Surface Area:59.6
Heavy Atom Count:28
Complexity:679
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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