3-[([(3-methoxypropyl)amino]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid
Chemical Structure Depiction of
3-[([(3-methoxypropyl)amino]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid
3-[([(3-methoxypropyl)amino]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid
Compound characteristics
| Compound ID: | G696-5760 |
| Compound Name: | 3-[([(3-methoxypropyl)amino]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methylidene)amino]benzoic acid |
| Molecular Weight: | 578.51 |
| Molecular Formula: | C23 H27 F3 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | COCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.4481 |
| logD: | 4.4481 |
| logSw: | -4.1744 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.41 |
| InChI Key: | AHDNTYNDIAWRMM-UHFFFAOYSA-N |