3-[([(3-methoxypropyl)amino]{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([(3-methoxypropyl)amino]{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([(3-methoxypropyl)amino]{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5790 |
| Compound Name: | 3-[([(3-methoxypropyl)amino]{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.56 |
| Molecular Formula: | C22 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | COCCCN\C(=N/c1cccc(c1)C(O)=O)N1CCN(CC1)CC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6627 |
| logD: | 1.6627 |
| logSw: | -2.0685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.449 |
| InChI Key: | OXMHWSCIXMYFRM-UHFFFAOYSA-N |