4-[butyl(methyl)amino]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[butyl(methyl)amino]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
4-[butyl(methyl)amino]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0090 |
| Compound Name: | 4-[butyl(methyl)amino]-3-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.58 |
| Molecular Formula: | C22 H30 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1NS(c1ccc(CC(C)C)cc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6155 |
| logD: | 2.8561 |
| logSw: | -5.1458 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.502 |
| InChI Key: | IKUKVVYEAGVMBX-UHFFFAOYSA-N |