4-fluorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-fluorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
4-fluorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
Compound ID: | D054-0049 |
Compound Name: | 4-fluorophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate |
Molecular Weight: | 298.72 |
Molecular Formula: | C12 H8 Cl F N2 O2 S |
Smiles: | CSc1ncc(c(C(=O)Oc2ccc(cc2)F)n1)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.4533 |
logD: | 3.4533 |
logSw: | -3.8145 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 39.202 |
InChI Key: | UMCJSRNBQMPINR-UHFFFAOYSA-N |