3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3404-5397 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 531.57 |
| Molecular Formula: | C29 H29 N3 O7 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0984 |
| logD: | 4.5096 |
| logSw: | -4.7599 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.507 |
| InChI Key: | WDINUCGUCYAZPN-UHFFFAOYSA-N |