2-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
2-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}benzoic acid
2-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 8020-9012 |
| Compound Name: | 2-{2-[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 353.36 |
| Molecular Formula: | C16 H11 N5 O3 S |
| Smiles: | C(C(Nc1ccccc1C(O)=O)=O)Sc1c(C#N)cc(C#N)c(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0094 |
| logD: | -2.4035 |
| logSw: | -2.8597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.383 |
| InChI Key: | JTNHWYIXQVQALU-UHFFFAOYSA-N |