10-acetyl-11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y500-3483 |
| Compound Name: | 10-acetyl-11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 505.96 |
| Molecular Formula: | C27 H24 Cl N3 O5 |
| Smiles: | CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(c2ccc(cc2[Cl])[N+]([O-])=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6023 |
| logD: | 5.2646 |
| logSw: | -5.9745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.685 |
| InChI Key: | HGGLKSMWCUHTPK-SANMLTNESA-N |