3-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5765 |
| Compound Name: | 3-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-methoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 506.48 |
| Molecular Formula: | C19 H28 N4 O5 |
| Salt: | CF3COOH |
| Smiles: | CCOC(N1CCN(CC1)C(\NCCCOC)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5499 |
| logD: | 2.5499 |
| logSw: | -2.6446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.93 |
| InChI Key: | TURNIZVWJWECTR-UHFFFAOYSA-N |