3-{[{[(3-methoxyphenyl)methyl]amino}(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-{[{[(3-methoxyphenyl)methyl]amino}(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
3-{[{[(3-methoxyphenyl)methyl]amino}(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G696-5963 |
| Compound Name: | 3-{[{[(3-methoxyphenyl)methyl]amino}(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)methylidene]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.59 |
| Molecular Formula: | C25 H33 N5 O4 |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)C(\NCc1cccc(c1)OC)=N/c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2193 |
| logD: | 3.2193 |
| logSw: | -3.4022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.496 |
| InChI Key: | APSBHYCTJWUMGA-UHFFFAOYSA-N |