3-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Chemical Structure Depiction of
3-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
3-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y503-1744 |
| Compound Name: | 3-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| Molecular Weight: | 313.74 |
| Molecular Formula: | C13 H16 Cl N3 O4 |
| Smiles: | C1CC2C(C(C1O2)C(O)=O)C(NCCn1cc(cn1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.82 |
| logD: | -0.6959 |
| logSw: | -2.3351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.281 |
| InChI Key: | HFXHXQGIWDVJDK-UHFFFAOYSA-N |