AC1MEI8W
9,9-dimethyl-6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: CCG-3648|AK-968/13149751|SR-01000433211-1|11-(5-{4-nitro-2-methylphenyl}-2-furyl)-3,3-dimethyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|9,9-dimethyl-6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3,3-dimethyl-11-(5-(2-methyl-4-nitrophenyl)furan-2-yl)-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)-2-furyl]-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C29H29N3O5 |
|---|---|
| Molecular Weight | 499.21072 g/mol |
| LogP | 6.71622 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.21072 |
| Monoisotopic Mass | 499.21072 |
| Heavy Atoms | 37 |
| Complexity | 1465.6752 |
Chemical Identifiers
| CAS Number | 369403-90-7 |
|---|---|
| SMILES | CCC(=O)N1C(C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])C |
Product Overview
AC1MEI8W (CAS 369403-90-7), with molecular formula C29H29N3O5 and molecular weight 499.21072 g/mol. IUPAC: 9,9-dimethyl-6-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-5-propanoyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.