N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
Formula:C18H14N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C18H14N3O4F3 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C18H14F3N3O4/c19-18(20,21)12-2-1-3-13(9-12)23-16(25)17(26)24-22-10-11-4-5-14-15(8-11)28-7-6-27-14/h1-5,8-10H,6-7H2,(H,23,25)(H,24,26) |
| InChIK | PEMXDROWASUAQV-UHFFFAOYSA-N |
| TotalMolweight | 393.32 |
| Molweight | 393.32 |
| MonoisotopicMass | 393.093641 |
| CLogP | 2.971 |
| CLogS | -4.485 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 279.68 |
| Relative PSA | 0.28786 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -10.686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide | 2 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
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