11-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0572 |
| Compound Name: | 11-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C28 H27 N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3ccc(cc3)[N+]([O-])=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7414 |
| logD: | 4.7251 |
| logSw: | -4.5632 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.836 |
| InChI Key: | LMRMTNWBYNPHID-UHFFFAOYSA-N |