3-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | D133-0058 |
| Compound Name: | 3-(2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C16 H16 N4 O5 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cccc(c1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3936 |
| logD: | -0.4922 |
| logSw: | -2.9616 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.79 |
| InChI Key: | QKKOFVXCOZDTIM-UHFFFAOYSA-N |