2-[butyl(methyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0087 |
| Compound Name: | 2-[butyl(methyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.55 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1636 |
| logD: | 3.048 |
| logSw: | -4.7733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.2 |
| InChI Key: | USXLYXUPXHXTEU-UHFFFAOYSA-N |