4-butyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylic acid
Chemical Structure Depiction of
4-butyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylic acid
4-butyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3806 |
| Compound Name: | 4-butyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylic acid |
| Molecular Weight: | 250.32 |
| Molecular Formula: | C12 H14 N2 O2 S |
| Smiles: | CCCCc1c(C(O)=O)sc(n1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5418 |
| logD: | -2.0847 |
| logSw: | -3.5146 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.718 |
| InChI Key: | JEHBWZNYSNXKCX-UHFFFAOYSA-N |