2-(azepan-1-yl)-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0333 |
| Compound Name: | 2-(azepan-1-yl)-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 506.47 |
| Molecular Formula: | C19 H21 F N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccc(c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.255 |
| logD: | 2.1393 |
| logSw: | -4.087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.779 |
| InChI Key: | FTQYWKPOVLHXFW-UHFFFAOYSA-N |