4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoic acid
4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8011-5022 |
| Compound Name: | 4-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 285.32 |
| Molecular Formula: | C15 H11 N O3 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.8379 |
| logD: | 0.8665 |
| logSw: | -4.0491 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.038 |
| InChI Key: | XCKAGLDDLJTRBV-UHFFFAOYSA-N |