N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide
Formula:C24H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C24H21N3O2 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(CCc3ccccc3)=O)cc2)cccc1 |
| InChI | InChI=1S/C24H21N3O2/c25-16-21-8-4-5-9-22(21)18-29-23-13-10-20(11-14-23)17-26-27-24(28)15-12-19-6-2-1-3-7-19/h1-11,13-14,17H,12,15,18H2,(H,27,28) |
| InChIK | XSTHZXQQVGNAIS-UHFFFAOYSA-N |
| TotalMolweight | 383.45 |
| Molweight | 383.45 |
| MonoisotopicMass | 383.163377 |
| CLogP | 4.8378 |
| CLogS | -6.07 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.74 |
| Relative PSA | 0.18631 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.4104 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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