4-chloro-3-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-chloro-3-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
4-chloro-3-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0062 |
| Compound Name: | 4-chloro-3-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 329.2 |
| Molecular Formula: | C13 H10 Cl2 N2 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])OC(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6176 |
| logD: | 4.6176 |
| logSw: | -4.7696 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.202 |
| InChI Key: | MFBUBIXQVINUFH-UHFFFAOYSA-N |