3-{[(benzylamino)(4-cyclohexylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[(benzylamino)(4-cyclohexylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
3-{[(benzylamino)(4-cyclohexylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5711 |
| Compound Name: | 3-{[(benzylamino)(4-cyclohexylpiperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 534.58 |
| Molecular Formula: | C25 H32 N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CCC(CC1)N1CCN(CC1)C(\NCc1ccccc1)=N/c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7382 |
| logD: | 4.7382 |
| logSw: | -4.4103 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.788 |
| InChI Key: | DTBWTKBVVQSSEW-UHFFFAOYSA-N |