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
| 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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