5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0557 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.53 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9794 |
| logD: | 1.8637 |
| logSw: | -3.9104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.812 |
| InChI Key: | RYTOWFPRAYJGFE-UHFFFAOYSA-N |