ethyl 4-(4-benzoylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-benzoylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(4-benzoylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y010-0317 |
| Compound Name: | ethyl 4-(4-benzoylanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)C(c1ccccc1)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7662 |
| logD: | 4.7662 |
| logSw: | -4.4271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.826 |
| InChI Key: | KYKWLPXNCODGKH-UHFFFAOYSA-N |