4-{2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
4-{2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 8015-7654 |
| Compound Name: | 4-{2-[(4-hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 333.36 |
| Molecular Formula: | C15 H15 N3 O4 S |
| Smiles: | Cc1c(C)nc(nc1O)SCC(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2695 |
| logD: | -0.1257 |
| logSw: | -2.761 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.355 |
| InChI Key: | WNIDCHXFKDRFIA-UHFFFAOYSA-N |