4-[({4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}{[(3-methoxyphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-5951 |
| Compound Name: | 4-[({4-[2-(butylamino)-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: | CCCCNC(CN1CCN(CC1)C(/NCc1cccc(c1)OC)=N/c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5191 |
| logD: | 3.5191 |
| logSw: | -3.5405 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.363 |
| InChI Key: | MMEMZUAMDJWSPN-UHFFFAOYSA-N |