N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C19H19N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C19H19N4O3F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C19H19F3N4O3/c20-19(21,22)15-3-6-18(28)26(12-15)13-17(27)24-23-11-14-1-4-16(5-2-14)25-7-9-29-10-8-25/h1-6,11-12H,7-10,13H2,(H,24,27) |
| InChIK | AIXWNFIGIMXXMZ-UHFFFAOYSA-N |
| TotalMolweight | 408.379 |
| Molweight | 408.379 |
| MonoisotopicMass | 408.140925 |
| CLogP | 1.6687 |
| CLogS | -3.575 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 298.05 |
| Relative PSA | 0.22194 |
| PolarSurfaceArea | 74.24 |
| Druglikeness | -2.5588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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