4-[butyl(ethyl)amino]-3-[(3,4-dichlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[butyl(ethyl)amino]-3-[(3,4-dichlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[butyl(ethyl)amino]-3-[(3,4-dichlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0556 |
| Compound Name: | 4-[butyl(ethyl)amino]-3-[(3,4-dichlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.39 |
| Molecular Formula: | C19 H22 Cl2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1NS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7707 |
| logD: | 2.6123 |
| logSw: | -5.5473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.287 |
| InChI Key: | LLQUCFTXCGNGFU-UHFFFAOYSA-N |