4-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzoic acid
4-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | D306-0357 |
| Compound Name: | 4-{[(6-phenylpyrimidin-4-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Sc1cc(c2ccccc2)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 4.194 |
| logD: | 1.2225 |
| logSw: | -4.284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.274 |
| InChI Key: | WXJQBYLTYYDEKK-UHFFFAOYSA-N |