11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0696 |
| Compound Name: | 11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 545.59 |
| Molecular Formula: | C30 H31 N3 O7 |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(c3cc(c(c(c3)OCC)O)[N+]([O-])=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.444 |
| logD: | 4.8552 |
| logSw: | -5.2367 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.087 |
| InChI Key: | GLNIPDWENLHMFW-UHFFFAOYSA-N |