4-bromophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-bromophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
4-bromophenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0047 |
| Compound Name: | 4-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)Oc2ccc(cc2)[Br])n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2581 |
| logD: | 4.2581 |
| logSw: | -4.4067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.202 |
| InChI Key: | QYPUSCRITJFVJE-UHFFFAOYSA-N |