4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G537-0241 |
| Compound Name: | 4-[({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}{[(4-methylphenyl)methyl]amino}methylidene)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 621.06 |
| Molecular Formula: | C28 H31 Cl N4 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(CN/C(=N/c2ccc(cc2)C(O)=O)N2CCN(CC2)CCOc2ccc(cc2)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4272 |
| logD: | 5.4272 |
| logSw: | -5.7584 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.631 |
| InChI Key: | YGYOQQXVTCQRON-UHFFFAOYSA-N |