ethyl 4-(3-acetamidoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-acetamidoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(3-acetamidoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D278-0613 |
| Compound Name: | ethyl 4-(3-acetamidoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1Nc1cccc(c1)NC(C)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8528 |
| logD: | 2.8528 |
| logSw: | -3.2138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.621 |
| InChI Key: | ADKFDXXEVHGSTN-UHFFFAOYSA-N |