2-amino-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]benzamide
Formula:C22H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H18N4O2 |
| Smiles | Nc(cccc1)c1C(N/N=C\c(cc1)ccc1OCc(cccc1)c1C#N)=O |
| InChI | InChI=1S/C22H18N4O2/c23-13-17-5-1-2-6-18(17)15-28-19-11-9-16(10-12-19)14-25-26-22(27)20-7-3-4-8-21(20)24/h1-12,14H,15,24H2,(H,26,27) |
| InChIK | GOJHXSFBDGMTBV-UHFFFAOYSA-N |
| TotalMolweight | 370.411 |
| Molweight | 370.411 |
| MonoisotopicMass | 370.142976 |
| CLogP | 3.708 |
| CLogS | -5.911 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 300.74 |
| Relative PSA | 0.24885 |
| PolarSurfaceArea | 100.5 |
| Druglikeness | -0.30309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| 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 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-amino-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]benzamide | 2 - 2-amino-N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]benzamide
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