2-[4-(acetyloxy)phenyl]-1,3-benzothiazole-6-carboxylic acid
Chemical Structure Depiction of
2-[4-(acetyloxy)phenyl]-1,3-benzothiazole-6-carboxylic acid
2-[4-(acetyloxy)phenyl]-1,3-benzothiazole-6-carboxylic acid
Compound characteristics
| Compound ID: | 7177-0017 |
| Compound Name: | 2-[4-(acetyloxy)phenyl]-1,3-benzothiazole-6-carboxylic acid |
| Molecular Weight: | 313.33 |
| Molecular Formula: | C16 H11 N O4 S |
| Smiles: | CC(=O)Oc1ccc(cc1)c1nc2ccc(cc2s1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6314 |
| logD: | 1.2024 |
| logSw: | -4.0226 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.847 |
| InChI Key: | NUNPZIKBOGZEAL-UHFFFAOYSA-N |