3-{[(benzylamino)(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[(benzylamino)(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
3-{[(benzylamino)(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | G696-5740 |
Compound Name: | 3-{[(benzylamino)(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 567.56 |
Molecular Formula: | C24 H31 N5 O4 |
Salt: | CF3COOH |
Smiles: | COCCNC(CN1CCN(CC1)C(/NCc1ccccc1)=N/c1cccc(c1)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3711 |
logD: | 2.3711 |
logSw: | -2.7283 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 86.162 |
InChI Key: | OUOFRHWADRAXPH-UHFFFAOYSA-N |