2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]acetamide
Formula:C22H15N6O4F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C22H15N6O4F |
| Smiles | O=C(Cn1nnc(-c(cc2)ccc2F)n1)N/N=C\c1ccc(-c(cc2)cc(CO3)c2C3=O)o1 |
| InChI | InChI=1S/C22H15FN6O4/c23-16-4-1-13(2-5-16)21-26-28-29(27-21)11-20(30)25-24-10-17-6-8-19(33-17)14-3-7-18-15(9-14)12-32-22(18)31/h1-10H,11-12H2,(H,25,30) |
| InChIK | NOZBAITVSGWXMP-UHFFFAOYSA-N |
| TotalMolweight | 446.397 |
| Molweight | 446.397 |
| MonoisotopicMass | 446.113882 |
| CLogP | 2.6068 |
| CLogS | -5.941 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 329.8 |
| Relative PSA | 0.34245 |
| PolarSurfaceArea | 124.5 |
| Druglikeness | 1.2752 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]acetamide | 2 - 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(Z)-[5-(1-oxo-3H-2-benzofuran-5-yl)furan-2-yl]methylideneamino]acetamide
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