{5-[(3-chlorophenyl)methyl]-4-[4-(propane-1-sulfonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Chemical Structure Depiction of
{5-[(3-chlorophenyl)methyl]-4-[4-(propane-1-sulfonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
{5-[(3-chlorophenyl)methyl]-4-[4-(propane-1-sulfonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Compound characteristics
| Compound ID: | V004-1816 |
| Compound Name: | {5-[(3-chlorophenyl)methyl]-4-[4-(propane-1-sulfonyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile |
| Molecular Weight: | 501.96 |
| Molecular Formula: | C21 H23 Cl F3 N5 O2 S |
| Smiles: | CCCS(N1CCN(CC1)c1c(Cc2cccc(c2)[Cl])c(C(F)(F)F)nc(CC#N)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.326 |
| logD: | 4.326 |
| logSw: | -4.5268 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.861 |
| InChI Key: | PSPZGJYKEFTKBT-UHFFFAOYSA-N |