4-acetyl-3-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-acetyl-3-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
4-acetyl-3-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D650-0060 |
| Compound Name: | 4-acetyl-3-methylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 396.85 |
| Molecular Formula: | C17 H17 Cl N2 O5 S |
| Smiles: | CCCS(c1ncc(c(C(=O)Oc2ccc(C(C)=O)c(C)c2)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8682 |
| logD: | 2.8682 |
| logSw: | -3.5439 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.892 |
| InChI Key: | SSZZYKMXHMWUDX-UHFFFAOYSA-N |