4-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0840 |
| Compound Name: | 4-bromo-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.45 |
| Molecular Formula: | C21 H26 Br N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(CN(CC(N2CCNCC2)=O)S(c2ccc(cc2)[Br])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1956 |
| logD: | 2.6361 |
| logSw: | -3.3559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | SWOIDRBTEBPFBA-UHFFFAOYSA-N |