10-benzoyl-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-benzoyl-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-benzoyl-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: | Y500-1105 |
| Compound Name: | 10-benzoyl-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: | 568.03 |
| Molecular Formula: | C32 H26 Cl N3 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c4ccc(cc4[Cl])[N+]([O-])=O)o3)N(C(c3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9524 |
| logD: | 6.9073 |
| logSw: | -6.2943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.946 |
| InChI Key: | MJOGWKGNDZEJNT-PMERELPUSA-N |