2-methyl-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-methyl-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2-methyl-N-(3-methylbutyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0300 |
| Compound Name: | 2-methyl-N-(3-methylbutyl)-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: | CC(C)CCN(CC(N1CCNCC1)=O)S(c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6853 |
| logD: | 1.1258 |
| logSw: | -2.4436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | OORVCLMCNFHMSG-UHFFFAOYSA-N |