10-acetyl-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8859 |
| Compound Name: | 10-acetyl-3,3-dimethyl-11-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(c2ccc(cc2C)[N+]([O-])=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5289 |
| logD: | 5.1912 |
| logSw: | -5.4032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.685 |
| InChI Key: | YQLJEIWWIBVFLM-MHZLTWQESA-N |