ethyl 4-[4-(2-hydroxyethyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(2-hydroxyethyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-[4-(2-hydroxyethyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y010-0652 |
| Compound Name: | ethyl 4-[4-(2-hydroxyethyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(CCO)cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7332 |
| logD: | 2.7332 |
| logSw: | -3.1703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.015 |
| InChI Key: | JEEZTIVUQGBWMP-UHFFFAOYSA-N |