4-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
4-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5776 |
| Compound Name: | 4-({[4-(ethoxycarbonyl)piperazin-1-yl][(3-ethoxypropyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 520.5 |
| Molecular Formula: | C20 H30 N4 O5 |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN\C(=N/c1ccc(cc1)C(O)=O)N1CCN(CC1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.5846 |
| logD: | 2.5846 |
| logSw: | -2.8961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.565 |
| InChI Key: | CRQDNBIWQVTCBO-UHFFFAOYSA-N |