3-(4-methoxyphenyl)-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methoxyphenyl)-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3047-5021 |
| Compound Name: | 3-(4-methoxyphenyl)-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C26 H23 N3 O4 |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)[N+]([O-])=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.185 |
| logD: | 5.1687 |
| logSw: | -5.0168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.402 |
| InChI Key: | UNQYSMUMZWEZGU-UHFFFAOYSA-N |