3-{[{[(oxolan-2-yl)methyl]amino}(4-propylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[{[(oxolan-2-yl)methyl]amino}(4-propylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
3-{[{[(oxolan-2-yl)methyl]amino}(4-propylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-6024 |
| Compound Name: | 3-{[{[(oxolan-2-yl)methyl]amino}(4-propylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 488.51 |
| Molecular Formula: | C20 H30 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCN1CCN(CC1)C(\NCC1CCCO1)=N/c1cccc(c1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.532 |
| logD: | 2.532 |
| logSw: | -2.5498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.139 |
| InChI Key: | NMPJTECTNAEYDO-GOSISDBHSA-N |