11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3529 |
| Compound Name: | 11-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0254 |
| logD: | 5.4365 |
| logSw: | -5.3298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.247 |
| InChI Key: | LMDSCQMKUQOMGG-UHFFFAOYSA-N |