2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1382 |
| Compound Name: | 2-{butyl[(thiophen-2-yl)methyl]amino}-5-(4-chlorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 556.99 |
| Molecular Formula: | C23 H23 Cl N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1cccs1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.189 |
| logD: | 4.2227 |
| logSw: | -5.7499 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.449 |
| InChI Key: | VUDXLIWSLZPEKS-UHFFFAOYSA-N |