3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | 6049-1113 |
| Compound Name: | 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C20 H21 N3 O4 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(C1C2CC(C=C2)C1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7829 |
| logD: | -1.5423 |
| logSw: | -1.5075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.964 |
| InChI Key: | AQNVIXFHOBUMTK-UHFFFAOYSA-N |