4-(4-ethylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-ethylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
4-(4-ethylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0137 |
| Compound Name: | 4-(4-ethylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.6 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1NS(c1ccc(CC(C)C)cc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7986 |
| logD: | 4.7986 |
| logSw: | -4.2905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.287 |
| InChI Key: | XDMSVRXXLUVPQL-UHFFFAOYSA-N |