5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid
Chemical Structure Depiction of
5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid
5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid
Compound characteristics
| Compound ID: | 7597-5780 |
| Compound Name: | 5-{[(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl]methyl}furan-2-carboxylic acid |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C17 H14 N2 O3 S |
| Smiles: | Cc1cc(c2ccccc2)nc(n1)SCc1ccc(C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.8183 |
| logD: | -0.1657 |
| logSw: | -3.8154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.044 |
| InChI Key: | BGDDHMHJHBCPSA-UHFFFAOYSA-N |