{5-[(3-chlorophenyl)methyl]-4-[4-(methoxyacetyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Chemical Structure Depiction of
{5-[(3-chlorophenyl)methyl]-4-[4-(methoxyacetyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
{5-[(3-chlorophenyl)methyl]-4-[4-(methoxyacetyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile
Compound characteristics
| Compound ID: | V004-1875 |
| Compound Name: | {5-[(3-chlorophenyl)methyl]-4-[4-(methoxyacetyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}acetonitrile |
| Molecular Weight: | 467.88 |
| Molecular Formula: | C21 H21 Cl F3 N5 O2 |
| Salt: | not_available |
| Smiles: | COCC(N1CCN(CC1)c1c(Cc2cccc(c2)[Cl])c(C(F)(F)F)nc(CC#N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2386 |
| logD: | 3.2386 |
| logSw: | -3.4577 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.8 |
| InChI Key: | IGUBTKAXHLEBQC-UHFFFAOYSA-N |