4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0045 |
| Compound Name: | 4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.55 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1cc(ccc1N1CCN(C)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1114 |
| logD: | 4.1114 |
| logSw: | -3.9856 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.227 |
| InChI Key: | URSWJMHBIFKRGE-UHFFFAOYSA-N |