2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 5183-0219 |
| Compound Name: | 2-{2-[(pyrimidin-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 289.31 |
| Molecular Formula: | C13 H11 N3 O3 S |
| Smiles: | C(C(Nc1ccccc1C(O)=O)=O)Sc1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.8252 |
| logD: | -2.5878 |
| logSw: | -2.6902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.984 |
| InChI Key: | JATNSTMICLPIJO-UHFFFAOYSA-N |