11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8829 |
| Compound Name: | 11-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 519.98 |
| Molecular Formula: | C28 H26 Cl N3 O5 |
| Smiles: | CCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(c2ccc(cc2[Cl])[N+]([O-])=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1592 |
| logD: | 5.8215 |
| logSw: | -6.138 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.69 |
| InChI Key: | BHBMABIGFAVFKB-MHZLTWQESA-N |