2-[butyl(methyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0098 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 512.45 |
| Molecular Formula: | C18 H20 F2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0923 |
| logD: | 1.9767 |
| logSw: | -4.0006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.2 |
| InChI Key: | XOQPUSUEQYRQNW-UHFFFAOYSA-N |