{5-[(3-chlorophenyl)methyl]-4-[4-(3-methylbutanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Chemical Structure Depiction of
{5-[(3-chlorophenyl)methyl]-4-[4-(3-methylbutanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
{5-[(3-chlorophenyl)methyl]-4-[4-(3-methylbutanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Compound characteristics
| Compound ID: | V004-1863 |
| Compound Name: | {5-[(3-chlorophenyl)methyl]-4-[4-(3-methylbutanoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile |
| Molecular Weight: | 479.93 |
| Molecular Formula: | C23 H25 Cl F3 N5 O |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCN(CC1)c1c(Cc2cccc(c2)[Cl])c(C(F)(F)F)nc(CC#N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0343 |
| logD: | 5.0343 |
| logSw: | -5.0883 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.377 |
| InChI Key: | AWMZIDAZJNGWPE-UHFFFAOYSA-N |