ethyl 2-(methylsulfanyl)-4-[4-(piperidin-1-yl)anilino]pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 2-(methylsulfanyl)-4-[4-(piperidin-1-yl)anilino]pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 2-(methylsulfanyl)-4-[4-(piperidin-1-yl)anilino]pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0544 |
| Compound Name: | ethyl 2-(methylsulfanyl)-4-[4-(piperidin-1-yl)anilino]pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C19 H24 N4 O2 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)N1CCCCC1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5258 |
| logD: | 4.5039 |
| logSw: | -3.9897 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.812 |
| InChI Key: | KVJBKJPCZJMMSU-UHFFFAOYSA-N |