6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1611 |
| Compound Name: | 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C21 H20 Cl F N4 O S |
| Smiles: | C1CN(CCN1C1NC(C=C(CSc2ccc(cc2)[Cl])N=1)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.4516 |
| logD: | 4.425 |
| logSw: | -4.6803 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.352 |
| InChI Key: | AXTAKUBQRRKWEO-UHFFFAOYSA-N |