{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
Chemical Structure Depiction of
{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
{4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
Compound characteristics
| Compound ID: | V002-7223 |
| Compound Name: | {4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile |
| Molecular Weight: | 474.01 |
| Molecular Formula: | C27 H28 Cl N5 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(C)c2)c(nc(CC#N)n1)N1CCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.356 |
| logD: | 5.3539 |
| logSw: | -5.8105 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.128 |
| InChI Key: | HLBHCBDRFRZNKN-UHFFFAOYSA-N |