4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1034 |
| Compound Name: | 4-ethoxy-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 511.56 |
| Molecular Formula: | C19 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(N(CCC(N1CCNCC1)=O)CC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7074 |
| logD: | 0.8795 |
| logSw: | -2.5357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.069 |
| InChI Key: | ZACXFKPAFHCLEX-UHFFFAOYSA-N |