ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0560 |
| Compound Name: | ethyl 4-[4-(4-methylpiperazin-1-yl)anilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 423.96 |
| Molecular Formula: | C19 H25 N5 O2 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)N1CCN(C)CC1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3439 |
| logD: | 2.7758 |
| logSw: | -3.5727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.288 |
| InChI Key: | LGJHBPCJLXLUKS-UHFFFAOYSA-N |