4-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
4-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D491-0188 |
| Compound Name: | 4-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 354.81 |
| Molecular Formula: | C15 H15 Cl N2 O4 S |
| Smiles: | CCCS(c1ncc(c(C(=O)Oc2ccc(C)cc2)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2836 |
| logD: | 3.2836 |
| logSw: | -3.567 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.065 |
| InChI Key: | YRDYQUAWOYJMHK-UHFFFAOYSA-N |