3-phenyl-N-[(Z)-[4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl]methylideneamino]propanamide
Formula:C26H26N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-[4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl]methylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-[4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl]methylideneamino]propanamide |
| MolecularFormula | C26H26N4O2 |
| Smiles | O=C(CCc1ccccc1)N/N=C\c1ccc(/C=N\NC(CCc2ccccc2)=O)cc1 |
| InChI | InChI=1S/C26H26N4O2/c31-25(17-15-21-7-3-1-4-8-21)29-27-19-23-11-13-24(14-12-23)20-28-30-26(32)18-16-22-9-5-2-6-10-22/h1-14,19-20H,15-18H2,(H,29,31)(H,30,32) |
| InChIK | XDBAVFUIUFITDI-UHFFFAOYSA-N |
| TotalMolweight | 426.518 |
| Molweight | 426.518 |
| MonoisotopicMass | 426.205576 |
| CLogP | 5.6486 |
| CLogS | -6.296 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 355.76 |
| Relative PSA | 0.20244 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 3.2005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 19 |
| StereoCon |
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1 - 3-phenyl-N-[(Z)-[4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl]methylideneamino]propanamide | 2 - 3-phenyl-N-[(Z)-[4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl]methylideneamino]propanamide
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