3-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
3-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5924 |
| Compound Name: | 3-({(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)[(2-phenylethyl)amino]methylidene}amino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.59 |
| Molecular Formula: | C25 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | COCCNC(CN1CCN(CC1)C(/NCCc1ccccc1)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5433 |
| logD: | 2.5433 |
| logSw: | -2.7397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.004 |
| InChI Key: | PDCAPMKGZVRZLB-UHFFFAOYSA-N |