11-(4-bromo-2,5-dimethoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-bromo-2,5-dimethoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-bromo-2,5-dimethoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0039 |
| Compound Name: | 11-(4-bromo-2,5-dimethoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C27 H25 Br N2 O3 |
| Smiles: | COc1cc(c(cc1C1C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc2N1)OC)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8919 |
| logD: | 5.8756 |
| logSw: | -5.5231 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.737 |
| InChI Key: | HPQZVNXTBBRLSZ-UHFFFAOYSA-N |