11-(3-bromo-4,5-dimethoxyphenyl)-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-bromo-4,5-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-bromo-4,5-dimethoxyphenyl)-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: | 5991-0531 |
| Compound Name: | 11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 579.49 |
| Molecular Formula: | C30 H31 Br N2 O5 |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(c3cc(c(c(c3)[Br])OC)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7467 |
| logD: | 5.7304 |
| logSw: | -5.4753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.665 |
| InChI Key: | HNJGJVPYICDEEU-UHFFFAOYSA-N |