6-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
6-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7955 |
| Compound Name: | 6-[4-(3,4-dimethylbenzene-1-sulfonyl)piperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CC1CC(C(CC=1C)C(N1CCN(CC1)S(c1ccc(C)c(C)c1)(=O)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9136 |
| logD: | 0.5578 |
| logSw: | -3.0567 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.006 |
| InChI Key: | IYVNSIOLSDVAQT-UHFFFAOYSA-N |