2-bromophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-bromophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
2-bromophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
Compound ID: | D054-0055 |
Compound Name: | 2-bromophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate |
Molecular Weight: | 359.63 |
Molecular Formula: | C12 H8 Br Cl N2 O2 S |
Smiles: | CSc1ncc(c(C(=O)Oc2ccccc2[Br])n1)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.9666 |
logD: | 3.9666 |
logSw: | -4.3003 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 39.288 |
InChI Key: | CFCGQXCLWUXIBS-UHFFFAOYSA-N |