3,4-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3,4-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
3,4-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0058 |
| Compound Name: | 3,4-dimethylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 308.78 |
| Molecular Formula: | C14 H13 Cl N2 O2 S |
| Smiles: | Cc1ccc(cc1C)OC(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3746 |
| logD: | 4.3746 |
| logSw: | -4.5512 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.202 |
| InChI Key: | IKPTWROJAMZWCW-UHFFFAOYSA-N |