5-(3-chloro-4-methylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(3-chloro-4-methylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
5-(3-chloro-4-methylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G605-0186 |
| Compound Name: | 5-(3-chloro-4-methylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 537.03 |
| Molecular Formula: | C23 H22 Cl F N4 O4 S2 |
| Smiles: | Cc1ccc(cc1[Cl])S(C1=CN=C(NC1=O)SCC(N1CCN(CC1)c1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0874 |
| logD: | 1.4457 |
| logSw: | -3.537 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.644 |
| InChI Key: | GVGFZJPDCHAHKL-UHFFFAOYSA-N |