dimethyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzene-1,4-dicarboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
dimethyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzene-1,4-dicarboxylate--hydrogen chloride (1/1)
dimethyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzene-1,4-dicarboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D278-0199 |
| Compound Name: | dimethyl 2-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzene-1,4-dicarboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 383.85 |
| Molecular Formula: | C16 H17 N3 O4 S |
| Salt: | HCl |
| Smiles: | Cc1cc(Nc2cc(ccc2C(=O)OC)C(=O)OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.631 |
| logD: | 3.617 |
| logSw: | -3.9001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.467 |
| InChI Key: | FYAWZPMRLUFROQ-UHFFFAOYSA-N |