3-[({4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5968 |
| Compound Name: | 3-[({4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.62 |
| Molecular Formula: | C26 H35 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)C(CN1CCN(CC1)C(/NCc1cccc(c1)OC)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9285 |
| logD: | 2.9285 |
| logSw: | -3.1981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.455 |
| InChI Key: | LFVWBJJXROQSCL-UHFFFAOYSA-N |