3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0311 |
| Compound Name: | 3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.64 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CC1)c1ccccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9386 |
| logD: | 3.1999 |
| logSw: | -5.4224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.521 |
| InChI Key: | LXBCUNAJBJJUCZ-UHFFFAOYSA-N |