6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-4(3H)-one
6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-8074 |
| Compound Name: | 6-{[(4-methylphenyl)sulfanyl]methyl}-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-4(3H)-one |
| Molecular Weight: | 460.52 |
| Molecular Formula: | C23 H23 F3 N4 O S |
| Smiles: | Cc1ccc(cc1)SCC1=CC(NC(=N1)N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9304 |
| logD: | 4.9037 |
| logSw: | -4.6385 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.352 |
| InChI Key: | BEEFNQPDDDHGLH-UHFFFAOYSA-N |