4-ethoxy-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-ethoxy-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-ethoxy-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0855 |
| Compound Name: | 4-ethoxy-N-[(4-ethylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.6 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(CN(CC(N2CCNCC2)=O)S(c2ccc(cc2)OCC)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7306 |
| logD: | 2.1711 |
| logSw: | -3.1946 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | GCXUUHVVGGBKPW-UHFFFAOYSA-N |