11-(3-bromo-4-hydroxy-5-methoxyphenyl)-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-hydroxy-5-methoxyphenyl)-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-hydroxy-5-methoxyphenyl)-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: | 8014-3757 |
| Compound Name: | 11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 565.46 |
| Molecular Formula: | C29 H29 Br N2 O5 |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(c3cc(c(c(c3)[Br])O)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1591 |
| logD: | 5.118 |
| logSw: | -4.8166 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.427 |
| InChI Key: | RFVPDVZUURHAPJ-UHFFFAOYSA-N |