4-[benzyl(ethyl)amino]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[benzyl(ethyl)amino]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[benzyl(ethyl)amino]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0001 |
| Compound Name: | 4-[benzyl(ethyl)amino]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.51 |
| Molecular Formula: | C22 H21 F N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6735 |
| logD: | 1.9003 |
| logSw: | -4.2555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.037 |
| InChI Key: | AOJCUHDURXHOOW-UHFFFAOYSA-N |