2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
Chemical Structure Depiction of
2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
Compound characteristics
| Compound ID: | Y040-6889 |
| Compound Name: | 2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid |
| Molecular Weight: | 272.32 |
| Molecular Formula: | C14 H12 N2 O2 S |
| Smiles: | Cc1ccc(C)n1c1nc2ccc(cc2s1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.761 |
| logD: | 1.332 |
| logSw: | -3.8792 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.071 |
| InChI Key: | NZYHJAIQZLJSKC-UHFFFAOYSA-N |