3-(4-fluorophenyl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-fluorophenyl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y505-5051 |
| Compound Name: | 3-(4-fluorophenyl)-11-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C27 H25 F N2 O4 |
| Smiles: | COc1cc(cc(c1O)OC)C1C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.438 |
| logD: | 4.4216 |
| logSw: | -4.2913 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.217 |
| InChI Key: | LKHZJYVLNMCAEB-UHFFFAOYSA-N |