ethyl 4-[(2-methoxy-5-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2-methoxy-5-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-[(2-methoxy-5-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E729-0054 |
| Compound Name: | ethyl 4-[(2-methoxy-5-methylphenyl)carbamamido]-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C17 H20 N4 O4 S |
| Smiles: | CCOC(c1cnc(nc1NC(Nc1cc(C)ccc1OC)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3827 |
| logD: | 3.0907 |
| logSw: | -3.5835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.682 |
| InChI Key: | XTWYHSPGIGPGTB-UHFFFAOYSA-N |