3-[4-(4-butylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Chemical Structure Depiction of
3-[4-(4-butylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
3-[4-(4-butylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7977 |
| Compound Name: | 3-[4-(4-butylbenzene-1-sulfonyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | CCCCc1ccc(cc1)S(N1CCN(CC1)C(C1C2CC(C=C2)C1C(O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5183 |
| logD: | 1.1931 |
| logSw: | -3.8584 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.658 |
| InChI Key: | SDEYBRLBUGGYPZ-UHFFFAOYSA-N |