4-ethyl-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-ethyl-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-ethyl-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0646 |
| Compound Name: | 4-ethyl-N-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C18 H29 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(N(CC(C)C)CC(N1CCNCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0846 |
| logD: | 1.5251 |
| logSw: | -2.8129 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.967 |
| InChI Key: | PLCVUIKMZAXTGH-UHFFFAOYSA-N |