ethyl 4-[3-(ethoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[3-(ethoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 4-[3-(ethoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0166 |
| Compound Name: | ethyl 4-[3-(ethoxycarbonyl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 397.88 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cccc(c1)Nc1c(cnc(n1)SC)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4301 |
| logD: | 4.4301 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.113 |
| InChI Key: | UZVTVCPZBNFAIX-UHFFFAOYSA-N |