N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C16H12N3O3F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C16H12N3O3F5 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C16H12F5N3O3/c17-15(18)27-12-4-1-10(2-5-12)7-22-23-13(25)9-24-8-11(16(19,20)21)3-6-14(24)26/h1-8,15H,9H2,(H,23,25) |
| InChIK | CHCMJJHWCDZCAF-UHFFFAOYSA-N |
| TotalMolweight | 389.279 |
| Molweight | 389.279 |
| MonoisotopicMass | 389.079882 |
| CLogP | 2.1691 |
| CLogS | -4.094 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.41 |
| Relative PSA | 0.23065 |
| PolarSurfaceArea | 71 |
| Druglikeness | -1.6628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
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