N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0430 |
| Compound Name: | N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C18 H29 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCC(N1CCNCC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5772 |
| logD: | 0.7492 |
| logSw: | -2.3789 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.924 |
| InChI Key: | JUGKYVUFQRCLPP-UHFFFAOYSA-N |