1-(4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(2-methylpropyl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(2-methylpropyl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
1-(4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(2-methylpropyl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V027-4029 |
| Compound Name: | 1-(4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(2-methylpropyl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 432.97 |
| Molecular Formula: | C23 H30 Cl F N4 O |
| Smiles: | CCc1c(Cc2c(cccc2[Cl])F)c(nc(CC(C)C)n1)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5857 |
| logD: | 5.5123 |
| logSw: | -5.8572 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.375 |
| InChI Key: | COHVMXKTORBNBD-UHFFFAOYSA-N |