7-benzoyl-11-(5-nitrofuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
7-benzoyl-11-(5-nitrofuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7-benzoyl-11-(5-nitrofuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4923-3350 |
| Compound Name: | 7-benzoyl-11-(5-nitrofuran-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C24 H19 N3 O5 |
| Smiles: | C1CC2=C(C(c3ccc([N+]([O-])=O)o3)Nc3ccc(cc3N2)C(c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.204 |
| logD: | 4.1699 |
| logSw: | -4.4888 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.876 |
| InChI Key: | MIXRBHVLJOQBJI-QHCPKHFHSA-N |