ChemDiv2_004320

5-acetyl-9-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Also Known As: ChemDiv2_004320|IDI1_003035|1-[3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone|1-(3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)ethanone|1-[3-(3,4-dimethoxyphenyl)-11-(2-furyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-ethanone|10-acetyl-3-(3,4-dimethoxyphenyl)-11-(2-furyl)-1-oxo-2,3,4-trihydro-5H,11H-ben zo[b]benzo[2,1-f]1,4-diazepine|10-acetyl-3-(3,4-dimethoxyphenyl)-11-(2-furyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|5-acetyl-9-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Molecular Formula	C27H26N2O5
Molecular Weight	458.18417 g/mol
LogP	5.2173
Topological Polar Surface Area	81.01 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	458.18417
Monoisotopic Mass	458.18417
Heavy Atoms	34
Complexity	1277.9324

Chemical Identifiers

CAS Number	672279-40-2
SMILES	CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=CO5