(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N,N-dipyridin-2-ylprop-2-enamide
Formula:C26H19N3O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N,N-dipyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[4-(difluoromethoxy)phenyl]-2-phenyl-N,N-dipyridin-2-ylprop-2-enamide |
| MolecularFormula | C26H19N3O2F2 |
| Smiles | O=C(/C(/c1ccccc1)=C/c(cc1)ccc1OC(F)F)N(c1ncccc1)c1ncccc1 |
| InChI | InChI=1S/C26H19F2N3O2/c27-26(28)33-21-14-12-19(13-15-21)18-22(20-8-2-1-3-9-20)25(32)31(23-10-4-6-16-29-23)24-11-5-7-17-30-24/h1-18,26H |
| InChIK | MDPJOFJGASDFLR-UHFFFAOYSA-N |
| TotalMolweight | 443.452 |
| Molweight | 443.452 |
| MonoisotopicMass | 443.144533 |
| CLogP | 4.2519 |
| CLogS | -6.533 |
| H Acceptors | 5 |
| TotalSurfaceArea | 338.02 |
| Relative PSA | 0.14357 |
| PolarSurfaceArea | 55.32 |
| Druglikeness | 0.0285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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