3,5-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,5-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
3,5-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D491-0191 |
| Compound Name: | 3,5-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 368.84 |
| Molecular Formula: | C16 H17 Cl N2 O4 S |
| Smiles: | CCCS(c1ncc(c(C(=O)Oc2cc(C)cc(C)c2)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6428 |
| logD: | 3.6428 |
| logSw: | -3.9019 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.065 |
| InChI Key: | HMAHFOPIRDZEAQ-UHFFFAOYSA-N |