3-{2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid
Chemical Structure Depiction of
3-{2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid
3-{2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid
Compound characteristics
| Compound ID: | 8018-1115 |
| Compound Name: | 3-{2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamido}-4-methylbenzoic acid |
| Molecular Weight: | 371.41 |
| Molecular Formula: | C18 H17 N3 O4 S |
| Smiles: | Cc1ccc(cc1NC(CSc1nc2cc(ccc2[nH]1)OC)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8014 |
| logD: | 0.3335 |
| logSw: | -3.2127 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.383 |
| InChI Key: | MDYRCEZNRQFYDB-UHFFFAOYSA-N |