3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y206-4313 |
| Compound Name: | 3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | C1C2C=CC1C(C2C(O)=O)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2862 |
| logD: | -1.0389 |
| logSw: | -1.4274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.762 |
| InChI Key: | WBTSGPDQXNVLHA-UHFFFAOYSA-N |