3-benzamido-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C20H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzamido-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-benzamido-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C20H16N4O2 |
| Smiles | O=C(c1ccccc1)Nc1cccc(C(N/N=C\c2ccncc2)=O)c1 |
| InChI | InChI=1S/C20H16N4O2/c25-19(16-5-2-1-3-6-16)23-18-8-4-7-17(13-18)20(26)24-22-14-15-9-11-21-12-10-15/h1-14H,(H,23,25)(H,24,26) |
| InChIK | NPTBGQYOFIZXHE-UHFFFAOYSA-N |
| TotalMolweight | 344.373 |
| Molweight | 344.373 |
| MonoisotopicMass | 344.127326 |
| CLogP | 3.3482 |
| CLogS | -4.438 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 274.72 |
| Relative PSA | 0.26019 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 4.8992 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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