N'-[(Z)-thiophen-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
Formula:C14H10N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-thiophen-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-thiophen-2-ylmethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide |
| MolecularFormula | C14H10N3O2F3S |
| Smiles | O=C(C(N/N=C\c1cccs1)=O)Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-5-10(6-4-9)19-12(21)13(22)20-18-8-11-2-1-7-23-11/h1-8H,(H,19,21)(H,20,22) |
| InChIK | NQRCWQORWNXEQX-UHFFFAOYSA-N |
| TotalMolweight | 341.312 |
| Molweight | 341.312 |
| MonoisotopicMass | 341.044581 |
| CLogP | 2.8588 |
| CLogS | -4.313 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.6 |
| Relative PSA | 0.33473 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | -2.0107 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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