ethyl 4-(4-hydroxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-hydroxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(4-hydroxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D278-0394 |
| Compound Name: | ethyl 4-(4-hydroxyanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 305.35 |
| Molecular Formula: | C14 H15 N3 O3 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0284 |
| logD: | 3.0273 |
| logSw: | -3.3894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.976 |
| InChI Key: | QLTNSQCIAYGAGY-UHFFFAOYSA-N |