ethyl 4-{[4-(ethoxycarbonyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[4-(ethoxycarbonyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-{[4-(ethoxycarbonyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E729-0033 |
| Compound Name: | ethyl 4-{[4-(ethoxycarbonyl)phenyl]carbamamido}-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C18 H20 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(Nc1c(cnc(n1)SC)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1463 |
| logD: | 2.8161 |
| logSw: | -4.0658 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.503 |
| InChI Key: | SQQWQODKCMTCPE-UHFFFAOYSA-N |