N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C15H16N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C15H16N3O3F3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)NC[C@H]1OCCC1 |
| InChI | InChI=1S/C15H16F3N3O3/c16-15(17,18)12-6-2-1-4-10(12)8-20-21-14(23)13(22)19-9-11-5-3-7-24-11/h1-2,4,6,8,11H,3,5,7,9H2,(H,19,22)(H,21,23)/t11-/m0/s1 |
| InChIK | QZNXFCIXUVNUCO-NSHDSACASA-N |
| TotalMolweight | 343.304 |
| Molweight | 343.304 |
| MonoisotopicMass | 343.114376 |
| CLogP | 1.5833 |
| CLogS | -3.481 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 249.94 |
| Relative PSA | 0.28211 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -4.7105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide | 2 - N-[[(2S)-oxolan-2-yl]methyl]-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
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