3-[([(3-methoxypropyl)amino]{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[([(3-methoxypropyl)amino]{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[([(3-methoxypropyl)amino]{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5788 |
| Compound Name: | 3-[([(3-methoxypropyl)amino]{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.59 |
| Molecular Formula: | C25 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)NC(CN1CCN(CC1)C(/NCCCOC)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8137 |
| logD: | 3.8137 |
| logSw: | -3.8158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.84 |
| InChI Key: | RMGLCTWXQGLIEF-UHFFFAOYSA-N |