2-[butyl(ethyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(ethyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(ethyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0547 |
| Compound Name: | 2-[butyl(ethyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 534.55 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)OCC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8063 |
| logD: | 2.6906 |
| logSw: | -4.3121 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.109 |
| InChI Key: | JCFPYPXWXBEWLH-UHFFFAOYSA-N |