ethyl 4-[(4-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[(4-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-[(4-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E540-0166 |
| Compound Name: | ethyl 4-[(4-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 346.41 |
| Molecular Formula: | C16 H18 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1NC(Nc1ccc(C)cc1)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9683 |
| logD: | 2.6381 |
| logSw: | -3.926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.75 |
| InChI Key: | PONQWTQHDWQFPP-UHFFFAOYSA-N |