{5-[(3-chlorophenyl)methyl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Chemical Structure Depiction of
{5-[(3-chlorophenyl)methyl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
{5-[(3-chlorophenyl)methyl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Compound characteristics
| Compound ID: | V004-1827 |
| Compound Name: | {5-[(3-chlorophenyl)methyl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile |
| Molecular Weight: | 465.9 |
| Molecular Formula: | C22 H23 Cl F3 N5 O |
| Salt: | not_available |
| Smiles: | CC(C)C(N1CCN(CC1)c1c(Cc2cccc(c2)[Cl])c(C(F)(F)F)nc(CC#N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7245 |
| logD: | 4.7244 |
| logSw: | -4.8714 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.904 |
| InChI Key: | VLYCSMVKVIUCNP-UHFFFAOYSA-N |