1-N,3-N-bis[(Z)-benzylideneamino]benzene-1,3-dicarboxamide
Formula:C22H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-N,3-N-bis[(Z)-benzylideneamino]benzene-1,3-dicarboxamide is a drug-like molecule.
| MolName | 1-N,3-N-bis[(Z)-benzylideneamino]benzene-1,3-dicarboxamide |
| MolecularFormula | C22H18N4O2 |
| Smiles | O=C(c1cccc(C(N/N=C\c2ccccc2)=O)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H18N4O2/c27-21(25-23-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)22(28)26-24-16-18-10-5-2-6-11-18/h1-16H,(H,25,27)(H,26,28) |
| InChIK | CNYDXIFPAUEYIX-UHFFFAOYSA-N |
| TotalMolweight | 370.411 |
| Molweight | 370.411 |
| MonoisotopicMass | 370.142976 |
| CLogP | 4.7436 |
| CLogS | -5.826 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 300.72 |
| Relative PSA | 0.23949 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - 1-N,3-N-bis[(Z)-benzylideneamino]benzene-1,3-dicarboxamide | 2 - 1-N,3-N-bis[(Z)-benzylideneamino]benzene-1,3-dicarboxamide
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