11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3170-5228 |
| Compound Name: | 11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)-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: | CCOc1cc(cc(c1O)[Br])C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.519 |
| logD: | 5.497 |
| logSw: | -5.2789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.427 |
| InChI Key: | STGHRSSSERIWNS-UHFFFAOYSA-N |