3,4-dimethyl-6-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
3,4-dimethyl-6-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
3,4-dimethyl-6-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y205-7956 |
| Compound Name: | 3,4-dimethyl-6-[4-(thiophene-2-sulfonyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C18 H24 N2 O5 S2 |
| Smiles: | CC1CC(C(CC=1C)C(N1CCN(CC1)S(c1cccs1)(=O)=O)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4951 |
| logD: | -0.8608 |
| logSw: | -2.5346 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.024 |
| InChI Key: | KALWCNXWNQMLDY-UHFFFAOYSA-N |