ethyl 4-anilino-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-anilino-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-anilino-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y500-0068 |
| Compound Name: | ethyl 4-anilino-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 289.35 |
| Molecular Formula: | C14 H15 N3 O2 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccccc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4564 |
| logD: | 3.4564 |
| logSw: | -3.5574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.359 |
| InChI Key: | KHSBXCCTANEKRH-UHFFFAOYSA-N |