3-(4-ethoxy-3-methoxyphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-ethoxy-3-methoxyphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-ethoxy-3-methoxyphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3571 |
| Compound Name: | 3-(4-ethoxy-3-methoxyphenyl)-11-[4-(propan-2-yl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C31 H34 N2 O3 |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(c3ccc(cc3)C(C)C)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4572 |
| logD: | 6.4409 |
| logSw: | -5.6342 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.317 |
| InChI Key: | OCQMKFXHMRZTPR-UHFFFAOYSA-N |