N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1280 |
| Compound Name: | N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]thiophene-2-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 556.67 |
| Molecular Formula: | C20 H34 N4 O3 S2 |
| Salt: | CF3COOH |
| Smiles: | CC1CC(C)CN(CCN(CCC(N2CCNCC2)=O)S(c2cccs2)(=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2239 |
| logD: | 0.396 |
| logSw: | -2.2188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.52 |
| InChI Key: | PJSPGWVIVCFUJC-UHFFFAOYSA-N |