N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C17H12N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C17H12N3O4F3 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C17H12F3N3O4/c18-17(19,20)11-2-1-3-12(7-11)22-15(24)16(25)23-21-8-10-4-5-13-14(6-10)27-9-26-13/h1-8H,9H2,(H,22,24)(H,23,25) |
| InChIK | NJHPCNSYFQJZDW-UHFFFAOYSA-N |
| TotalMolweight | 379.293 |
| Molweight | 379.293 |
| MonoisotopicMass | 379.077991 |
| CLogP | 3.1036 |
| CLogS | -5.014 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 265.92 |
| Relative PSA | 0.30276 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -3.6198 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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