3-{[3-(cyclohexylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Chemical Structure Depiction of
3-{[3-(cyclohexylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
3-{[3-(cyclohexylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Compound characteristics
| Compound ID: | Y203-3847 |
| Compound Name: | 3-{[3-(cyclohexylcarbamoyl)-1-ethyl-1H-pyrazol-4-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C22 H32 N4 O4 |
| Smiles: | CCn1cc(c(C(NC2CCCCC2)=O)n1)NC(C1C2CCC(CC2)C1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6037 |
| logD: | -0.0163 |
| logSw: | -2.7255 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.34 |
| InChI Key: | WWVJEBKTKXRNGN-UHFFFAOYSA-N |