11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-6817 |
| Compound Name: | 11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 533.47 |
| Molecular Formula: | C29 H29 Br N2 O3 |
| Smiles: | CCOc1c(cc(cc1[Br])C1C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc2N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7587 |
| logD: | 6.7424 |
| logSw: | -5.5803 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.404 |
| InChI Key: | XMAQMILMHKFXBF-UHFFFAOYSA-N |