4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid
Chemical Structure Depiction of
4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid
4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid
Compound characteristics
| Compound ID: | D278-0138 |
| Compound Name: | 4-{[5-(ethoxycarbonyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoic acid |
| Molecular Weight: | 369.82 |
| Molecular Formula: | C15 H15 N3 O4 S |
| Salt: | HCl |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)C(O)=O)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4964 |
| logD: | 1.1012 |
| logSw: | -3.5728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.767 |
| InChI Key: | PJVAGYIWULXFFI-UHFFFAOYSA-N |