ethyl 4-(4-acetylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-acetylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(4-acetylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y010-0318 |
| Compound Name: | ethyl 4-(4-acetylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)C(C)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1902 |
| logD: | 3.1902 |
| logSw: | -3.2814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.186 |
| InChI Key: | VTZRXDYIGDZQBU-UHFFFAOYSA-N |