{4-ethyl-6-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
Chemical Structure Depiction of
{4-ethyl-6-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
{4-ethyl-6-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile
Compound characteristics
| Compound ID: | V012-3872 |
| Compound Name: | {4-ethyl-6-[4-(4-fluorobenzoyl)piperazin-1-yl]-5-[(3-methylphenyl)methyl]pyrimidin-2-yl}acetonitrile |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C27 H28 F N5 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(C)c2)c(nc(CC#N)n1)N1CCN(CC1)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9711 |
| logD: | 4.9691 |
| logSw: | -4.7788 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.128 |
| InChI Key: | POLPUHLIMFGACU-UHFFFAOYSA-N |