6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1370 |
| Compound Name: | 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | C1CN(CCN1C1NC(C=C(CSc2ccc(cc2)[Cl])N=1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.301 |
| logD: | 4.2741 |
| logSw: | -4.6345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.352 |
| InChI Key: | CWQFWZVHXBMWOX-UHFFFAOYSA-N |