(4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
Chemical Structure Depiction of
(4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
(4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V030-7220 |
| Compound Name: | (4-{2-(butan-2-yl)-5-[(2-chloro-6-fluorophenyl)methyl]-6-methylpyrimidin-4-yl}piperazin-1-yl)(thiophen-2-yl)methanone |
| Molecular Weight: | 487.04 |
| Molecular Formula: | C25 H28 Cl F N4 O S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2c(cccc2[Cl])F)c(n1)N1CCN(CC1)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4239 |
| logD: | 6.3662 |
| logSw: | -6.1946 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.975 |
| InChI Key: | DXPQEQTZQFMHQW-INIZCTEOSA-N |