3-[({4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[({4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
3-[({4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5872 |
| Compound Name: | 3-[({4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.62 |
| Molecular Formula: | C26 H35 N5 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)C(\NCc1ccc(C)cc1)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1141 |
| logD: | 4.1141 |
| logSw: | -3.877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.82 |
| InChI Key: | BNSCSAWKCSASSK-UHFFFAOYSA-N |