ethyl 4-[5-(ethanesulfonyl)-2-hydroxyanilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[5-(ethanesulfonyl)-2-hydroxyanilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
ethyl 4-[5-(ethanesulfonyl)-2-hydroxyanilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0488 |
| Compound Name: | ethyl 4-[5-(ethanesulfonyl)-2-hydroxyanilino]-2-(methylsulfanyl)pyrimidine-5-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 433.93 |
| Molecular Formula: | C16 H19 N3 O5 S2 |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1cc(ccc1O)S(CC)(=O)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6157 |
| logD: | 2.5369 |
| logSw: | -3.0248 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.246 |
| InChI Key: | UFSKVXKKSIVCFS-UHFFFAOYSA-N |