3-(4-ethoxy-3-methoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-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-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-ethoxy-3-methoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3603 |
| Compound Name: | 3-(4-ethoxy-3-methoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C29 H30 N2 O5 |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(c3ccc(c(c3)O)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6261 |
| logD: | 4.6009 |
| logSw: | -4.1303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.496 |
| InChI Key: | PVMFXSODUXWBND-UHFFFAOYSA-N |