4-{5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-(trifluoromethyl)pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-{5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-(trifluoromethyl)pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide
4-{5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-(trifluoromethyl)pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V004-1792 |
| Compound Name: | 4-{5-[(3-chlorophenyl)methyl]-2-(cyanomethyl)-6-(trifluoromethyl)pyrimidin-4-yl}-N,N-dimethylpiperazine-1-carboxamide |
| Molecular Weight: | 466.89 |
| Molecular Formula: | C21 H22 Cl F3 N6 O |
| Salt: | not_available |
| Smiles: | CN(C)C(N1CCN(CC1)c1c(Cc2cccc(c2)[Cl])c(C(F)(F)F)nc(CC#N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1732 |
| logD: | 4.1732 |
| logSw: | -4.481 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.791 |
| InChI Key: | LOTUGVQVFAVYAE-UHFFFAOYSA-N |