4-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0161 |
| Compound Name: | 4-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 582.58 |
| Molecular Formula: | C25 H32 N4 O5 |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN/C(=N/c1ccc(cc1)C(O)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.2344 |
| logD: | 3.2344 |
| logSw: | -3.1117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.441 |
| InChI Key: | JLPIYSZXJIIMGV-UHFFFAOYSA-N |