3-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y503-1748 |
| Compound Name: | 3-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C17 H20 N4 O4 S |
| Smiles: | CCn1cc(c2csc(NC(C3C(C4CCC3O4)C(O)=O)=O)n2)c(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3864 |
| logD: | 0.8705 |
| logSw: | -3.654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.992 |
| InChI Key: | KXJDXXWUALSLNN-UHFFFAOYSA-N |