4-methoxyphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-methoxyphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
4-methoxyphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0048 |
| Compound Name: | 4-methoxyphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 310.76 |
| Molecular Formula: | C13 H11 Cl N2 O3 S |
| Smiles: | COc1ccc(cc1)OC(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4066 |
| logD: | 3.4066 |
| logSw: | -3.8278 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.745 |
| InChI Key: | CYQMRGKZZPQURH-UHFFFAOYSA-N |