2-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
2-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
2-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D054-0053 |
| Compound Name: | 2-methylphenyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 294.76 |
| Molecular Formula: | C13 H11 Cl N2 O2 S |
| Smiles: | Cc1ccccc1OC(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6575 |
| logD: | 3.6575 |
| logSw: | -4.0426 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.288 |
| InChI Key: | AKHKHOXRGUFXRC-UHFFFAOYSA-N |