ethyl 2-(methylsulfanyl)-4-(4-propoxyanilino)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-(methylsulfanyl)-4-(4-propoxyanilino)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 2-(methylsulfanyl)-4-(4-propoxyanilino)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0425 |
| Compound Name: | ethyl 2-(methylsulfanyl)-4-(4-propoxyanilino)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Salt: | HCl |
| Smiles: | CCCOc1ccc(cc1)Nc1c(cnc(n1)SC)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6075 |
| logD: | 4.6075 |
| logSw: | -4.2469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.777 |
| InChI Key: | LMSPRGFBAVDMBO-UHFFFAOYSA-N |