4-(4-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)butanenitrile
Chemical Structure Depiction of
4-(4-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)butanenitrile
4-(4-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)butanenitrile
Compound characteristics
| Compound ID: | V010-6336 |
| Compound Name: | 4-(4-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperazin-1-yl)butanenitrile |
| Molecular Weight: | 468.38 |
| Molecular Formula: | C24 H23 Cl2 N5 O |
| Salt: | not_available |
| Smiles: | C(CC#N)CN1CCN(CC1)C(c1ccc(cc1)c1cc(c2ccc(cc2[Cl])[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4267 |
| logD: | 3.3962 |
| logSw: | -4.1556 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.387 |
| InChI Key: | XPFUCEYEJOMSPN-UHFFFAOYSA-N |