2-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0451 |
| Compound Name: | 2-methyl-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C19 H31 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCC(N1CCNCC1)=O)S(c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8888 |
| logD: | 1.0608 |
| logSw: | -2.3751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.924 |
| InChI Key: | FLCHHGYFYMNSCZ-UHFFFAOYSA-N |