3,4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0827 |
| Compound Name: | 3,4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.72 |
| Molecular Formula: | C22 H38 N4 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CC1CCCCN1CCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(C)c(C)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9803 |
| logD: | 1.5792 |
| logSw: | -2.5894 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.57 |
| InChI Key: | KWBWWYKDLGYEAW-NRFANRHFSA-N |