5-(4-butylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(4-butylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
5-(4-butylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | G605-0698 |
| Compound Name: | 5-(4-butylbenzene-1-sulfonyl)-2-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C26 H29 F N4 O4 S2 |
| Smiles: | CCCCc1ccc(cc1)S(C1=CN=C(NC1=O)SCC(N1CCN(CC1)c1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0365 |
| logD: | 2.3947 |
| logSw: | -3.8761 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.644 |
| InChI Key: | XAMUWJHMOBXRBD-UHFFFAOYSA-N |