(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-dipyridin-2-ylprop-2-enamide
Formula:C21H14N4O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-dipyridin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-dipyridin-2-ylprop-2-enamide |
| MolecularFormula | C21H14N4O2F2 |
| Smiles | N#C/C(/C(N(c1ncccc1)c1ncccc1)=O)=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C21H14F2N4O2/c22-21(23)29-17-9-7-15(8-10-17)13-16(14-24)20(28)27(18-5-1-3-11-25-18)19-6-2-4-12-26-19/h1-13,21H |
| InChIK | XQKSPGNFRLVRTF-UHFFFAOYSA-N |
| TotalMolweight | 392.364 |
| Molweight | 392.364 |
| MonoisotopicMass | 392.108482 |
| CLogP | 2.7671 |
| CLogS | -5.848 |
| H Acceptors | 6 |
| TotalSurfaceArea | 299.97 |
| Relative PSA | 0.20699 |
| PolarSurfaceArea | 79.11 |
| Druglikeness | -4.4124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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