2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1383 |
| Compound Name: | 2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 540.53 |
| Molecular Formula: | C23 H23 F N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1cccs1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6233 |
| logD: | 3.6571 |
| logSw: | -5.2146 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.449 |
| InChI Key: | BDFZYDMAQLIJQI-UHFFFAOYSA-N |