4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide
4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V001-9749 |
| Compound Name: | 4-{2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl}-N-[4-(cyanomethyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 519.04 |
| Molecular Formula: | C29 H31 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(COC(CN2CCN(CC2)C(Nc2ccc(CC#N)cc2)=O)c2ccc(cc2)[Cl])c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3362 |
| logD: | 4.2708 |
| logSw: | -4.8257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.164 |
| InChI Key: | ASFIUMJQZLBETJ-NDEPHWFRSA-N |