3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-2013 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(4-fluorophenyl)-10-(2-methylpropanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C31 H31 F N2 O4 |
| Smiles: | CC(C)C(N1C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc12)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6897 |
| logD: | 5.3699 |
| logSw: | -5.4276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.425 |
| InChI Key: | VWPJLJBEVRWZLJ-UHFFFAOYSA-N |