5-(anilinomethyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]furan-2-carboxamide
Formula:C20H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-(anilinomethyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | 5-(anilinomethyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]furan-2-carboxamide |
| MolecularFormula | C20H17N3O4 |
| Smiles | O=C(c1ccc(CNc2ccccc2)o1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C20H17N3O4/c24-20(23-22-11-14-6-8-17-19(10-14)26-13-25-17)18-9-7-16(27-18)12-21-15-4-2-1-3-5-15/h1-11,21H,12-13H2,(H,23,24) |
| InChIK | YKWUOTIKHLYDOD-UHFFFAOYSA-N |
| TotalMolweight | 363.372 |
| Molweight | 363.372 |
| MonoisotopicMass | 363.121907 |
| CLogP | 3.6208 |
| CLogS | -5.521 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 281.92 |
| Relative PSA | 0.28937 |
| PolarSurfaceArea | 85.09 |
| Druglikeness | 6.0048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 5-(anilinomethyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]furan-2-carboxamide | 2 - 5-(anilinomethyl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]furan-2-carboxamide
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