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 |