N-[(3-ethoxyphenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-ethoxyphenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0904 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.66 |
| Molecular Formula: | C25 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1cccc(CN(CC(N2CCNCC2)=O)S(c2ccc(CC(C)C)cc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5542 |
| logD: | 2.9947 |
| logSw: | -3.7821 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | WETLKTXXTUBQBA-UHFFFAOYSA-N |