AC1MWBJV structure

AC1MWBJV

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

Also Known As: Oprea1_842639|AK-968/14004828|9-(furan-2-yl)-6-(4-methoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one|3-(2-furyl)-11-(4-methoxyphenyl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|1-[3-(furan-2-yl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one|3-(furan-2-yl)-11-(4-methoxyphenyl)-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|1-(3-(furan-2-yl)-1-hydroxy-11-(4-methoxyphenyl)-3,4-dihydro-2H-dibenzo[b,e][1,4]diazepin-10(11H)-yl)propan-1-one|1-[3-(2-furyl)-1-hydroxy-11-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-1-propanone

CAS: 438476-47-2
Molecular Formula C27H26N2O4
Molecular Weight 442.18927 g/mol
LogP 5.5988
Topological Polar Surface Area 71.78 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 442.18927
Monoisotopic Mass 442.18927
Heavy Atoms 33
Complexity 1211.1831

Chemical Identifiers

CAS Number 438476-47-2
SMILES CCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=CO3)NC4=CC=CC=C41)C5=CC=C(C=C5)OC

Product Overview

AC1MWBJV (CAS 438476-47-2), with molecular formula C27H26N2O4 and molecular weight 442.18927 g/mol. IUPAC: 9-(furan-2-yl)-6-(4-methoxyphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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