N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
Formula:C23H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide |
| MolecularFormula | C23H19N3O3 |
| Smiles | N#Cc1ccc(/C=N\NC(COc(cc2)ccc2OCc2ccccc2)=O)cc1 |
| InChI | InChI=1S/C23H19N3O3/c24-14-18-6-8-19(9-7-18)15-25-26-23(27)17-29-22-12-10-21(11-13-22)28-16-20-4-2-1-3-5-20/h1-13,15H,16-17H2,(H,26,27) |
| InChIK | VYHFFHIDYMUJNE-UHFFFAOYSA-N |
| TotalMolweight | 385.422 |
| Molweight | 385.422 |
| MonoisotopicMass | 385.142642 |
| CLogP | 3.9602 |
| CLogS | -5.615 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 315.98 |
| Relative PSA | 0.22017 |
| PolarSurfaceArea | 83.71 |
| Druglikeness | -0.083437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75862 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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