2-chlorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-chlorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
2-chlorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0054 |
| Compound Name: | 2-chlorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 315.17 |
| Molecular Formula: | C12 H8 Cl2 N2 O2 S |
| Smiles: | CSc1ncc(c(C(=O)Oc2ccccc2[Cl])n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.827 |
| logD: | 3.827 |
| logSw: | -4.2062 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.288 |
| InChI Key: | DVWLNZNIWMLWRA-UHFFFAOYSA-N |