5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid
5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | Y043-8170 |
| Compound Name: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C12 H12 N2 O3 S |
| Smiles: | Cc1cc(C)nc(n1)SCc1ccc(C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.9932 |
| logD: | -1.9907 |
| logSw: | -2.2154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.123 |
| InChI Key: | HWENPASLBBETFY-UHFFFAOYSA-N |