N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Formula:C15H11N3O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide |
| MolecularFormula | C15H11N3O2BrF3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H11BrF3N3O2/c16-12-4-1-10(2-5-12)7-20-21-13(23)9-22-8-11(15(17,18)19)3-6-14(22)24/h1-8H,9H2,(H,21,23) |
| InChIK | XPDJSWZBNDZOSS-UHFFFAOYSA-N |
| TotalMolweight | 402.169 |
| Molweight | 402.169 |
| MonoisotopicMass | 400.998672 |
| CLogP | 2.7249 |
| CLogS | -4.306 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 254.84 |
| Relative PSA | 0.2064 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | -3.5924 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
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