4-bromo-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0289 |
| Compound Name: | 4-bromo-N-(3-methylbutyl)-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.48 |
| Molecular Formula: | C17 H28 Br N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCS(N1CCNCC1)(=O)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5548 |
| logD: | 2.2101 |
| logSw: | -2.7664 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.408 |
| InChI Key: | SXMGZDSNTAGJTQ-UHFFFAOYSA-N |