3-(4-ethoxy-3-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-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-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-ethoxy-3-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0699 |
| Compound Name: | 3-(4-ethoxy-3-methoxyphenyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C31 H34 N2 O6 |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(c3cc(c(c(c3)OC)OC)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9475 |
| logD: | 4.9311 |
| logSw: | -4.6025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.295 |
| InChI Key: | ZEUSCDACFHHCSM-UHFFFAOYSA-N |