3-(3,4-dimethoxyphenyl)-11-(3-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-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3404-5374 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C27 H25 N3 O5 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3cccc(c3)[N+]([O-])=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7444 |
| logD: | 4.7281 |
| logSw: | -4.6166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.119 |
| InChI Key: | OHMXCTHUTYFUBL-UHFFFAOYSA-N |