4-(4-methylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-methylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
4-(4-methylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0034 |
| Compound Name: | 4-(4-methylpiperazin-1-yl)-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1cc(ccc1N1CCN(C)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4538 |
| logD: | 4.4538 |
| logSw: | -4.1101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.227 |
| InChI Key: | YSCCKHDOTSFQGB-UHFFFAOYSA-N |