2-[benzyl(butyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0628 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(2,4,6-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.65 |
| Molecular Formula: | C27 H32 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1c(C)cc(C)cc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9837 |
| logD: | 5.1516 |
| logSw: | -5.5093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.989 |
| InChI Key: | SHRQAFORWGPHJT-UHFFFAOYSA-N |