3-[4-(4-nitrophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[4-(4-nitrophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y204-1186 |
| Compound Name: | 3-[4-(4-nitrophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C19 H21 N3 O5 |
| Smiles: | C1C2C=CC1C(C2C(O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1688 |
| logD: | -0.1564 |
| logSw: | -2.3285 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.781 |
| InChI Key: | RVRXKNMUJNHZMO-UHFFFAOYSA-N |