3-bromophenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
3-bromophenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
3-bromophenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate
Compound characteristics
Compound ID: | D650-0001 |
Compound Name: | 3-bromophenyl 5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxylate |
Molecular Weight: | 391.62 |
Molecular Formula: | C12 H8 Br Cl N2 O4 S |
Smiles: | CS(c1ncc(c(C(=O)Oc2cccc(c2)[Br])n1)[Cl])(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4351 |
logD: | 2.4351 |
logSw: | -3.2205 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 69.778 |
InChI Key: | MXNKHHBNOAEBPI-UHFFFAOYSA-N |