4-({2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
4-({2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0270 |
| Compound Name: | 4-({2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile |
| Molecular Weight: | 490 |
| Molecular Formula: | C28 H28 Cl N3 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)C(CN1CCN(CC1)C(c1ccccc1[Cl])=O)OCc1ccc(C#N)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0139 |
| logD: | 4.0124 |
| logSw: | -4.3954 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.908 |
| InChI Key: | JNTIWVPOPWTFBZ-MHZLTWQESA-N |