3-[({4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5793 |
| Compound Name: | 3-[({4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.56 |
| Molecular Formula: | C24 H30 F N5 O4 |
| Salt: | CF3COOH |
| Smiles: | COCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)CC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4194 |
| logD: | 3.4194 |
| logSw: | -3.6041 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.84 |
| InChI Key: | RYZQYWHZTMRGEE-UHFFFAOYSA-N |