5-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2-hydroxy-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
5-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2-hydroxy-6-methylpyrimidin-4(3H)-one
5-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2-hydroxy-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | D668-0320 |
| Compound Name: | 5-[4-(5-chloro-2-methylphenyl)piperazine-1-sulfonyl]-2-hydroxy-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C16 H19 Cl N4 O4 S |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(N1CCN(CC1)c1cc(ccc1C)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7223 |
| logD: | -1.0451 |
| logSw: | -2.9736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.443 |
| InChI Key: | KXQMKHZXFUPISW-UHFFFAOYSA-N |