3-(2-chlorophenyl)-11-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-11-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2-chlorophenyl)-11-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8013-0211 |
| Compound Name: | 3-(2-chlorophenyl)-11-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 491.93 |
| Molecular Formula: | C26 H22 Cl N3 O5 |
| Smiles: | COc1cc(cc(c1O)[N+]([O-])=O)C1C2=C(CC(CC2=O)c2ccccc2[Cl])Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.368 |
| logD: | 4.555 |
| logSw: | -5.5662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.667 |
| InChI Key: | ALVDXQKOAUSYES-UHFFFAOYSA-N |