2-(4-benzylpiperazin-1-yl)-6-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-6-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
2-(4-benzylpiperazin-1-yl)-6-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1612 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-6-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 426.97 |
| Molecular Formula: | C22 H23 Cl N4 O S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C1NC(C=C(CSc2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9821 |
| logD: | 3.5664 |
| logSw: | -4.4483 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.632 |
| InChI Key: | NIKUGJVITFGFGE-UHFFFAOYSA-N |