2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0642 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.68 |
| Molecular Formula: | C28 H34 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(CC(C)C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2317 |
| logD: | 5.3996 |
| logSw: | -5.522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.989 |
| InChI Key: | SUYXSFXARIOBLC-UHFFFAOYSA-N |