1-(4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-1-one
Chemical Structure Depiction of
1-(4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-1-one
1-(4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-1-one
Compound characteristics
| Compound ID: | V030-7196 |
| Compound Name: | 1-(4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-1-one |
| Molecular Weight: | 447 |
| Molecular Formula: | C24 H32 Cl F N4 O |
| Smiles: | CCC(C)c1nc(C)c(Cc2c(cccc2[Cl])F)c(n1)N1CCN(CC1)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9387 |
| logD: | 5.881 |
| logSw: | -6.069 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.228 |
| InChI Key: | WOCUQDMDZLYSKE-INIZCTEOSA-N |