4-{[2-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile
Chemical Structure Depiction of
4-{[2-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile
4-{[2-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | V002-1861 |
| Compound Name: | 4-{[2-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile |
| Molecular Weight: | 520.03 |
| Molecular Formula: | C29 H30 Cl N3 O4 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)C(COc1ccc(cc1)[Cl])=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9758 |
| logD: | 3.9731 |
| logSw: | -4.5728 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.879 |
| InChI Key: | WBDUJRJAKUJJDI-NDEPHWFRSA-N |