4-[butyl(methyl)amino]-3-[(2-chlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[butyl(methyl)amino]-3-[(2-chlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[butyl(methyl)amino]-3-[(2-chlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0094 |
| Compound Name: | 4-[butyl(methyl)amino]-3-[(2-chlorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 510.92 |
| Molecular Formula: | C18 H21 Cl N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1NS(c1ccccc1[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.084 |
| logD: | 1.3247 |
| logSw: | -4.2366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.502 |
| InChI Key: | UENVNSUTCBZIGU-UHFFFAOYSA-N |