11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-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-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-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3490-5508 |
| Compound Name: | 11-(3-bromo-4,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 535.44 |
| Molecular Formula: | C28 H27 Br N2 O4 |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3cc(c(c(c3)[Br])OC)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8871 |
| logD: | 5.8708 |
| logSw: | -5.5577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.368 |
| InChI Key: | YXPNQFSFFHALMC-UHFFFAOYSA-N |