3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(furan-2-yl)-6-phenylfuro[2,3-b]pyridine-2-carboxamide
Formula:C25H17N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(furan-2-yl)-6-phenylfuro[2,3-b]pyridine-2-carboxamide is not a drug-like molecule.
| MolName | 3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(furan-2-yl)-6-phenylfuro[2,3-b]pyridine-2-carboxamide |
| MolecularFormula | C25H17N4O3F |
| Smiles | Nc1c(C(N/N=C\c(cc2)ccc2F)=O)oc2c1c(-c1ccco1)cc(-c1ccccc1)n2 |
| InChI | InChI=1S/C25H17FN4O3/c26-17-10-8-15(9-11-17)14-28-30-24(31)23-22(27)21-18(20-7-4-12-32-20)13-19(29-25(21)33-23)16-5-2-1-3-6-16/h1-14H,27H2,(H,30,31) |
| InChIK | SIWDLQVDWPMPGB-UHFFFAOYSA-N |
| TotalMolweight | 440.433 |
| Molweight | 440.433 |
| MonoisotopicMass | 440.128469 |
| CLogP | 5.0478 |
| CLogS | -8.558 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.12 |
| Relative PSA | 0.27077 |
| PolarSurfaceArea | 106.65 |
| Druglikeness | 3.0204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(furan-2-yl)-6-phenylfuro[2,3-b]pyridine-2-carboxamide | 2 - 3-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(furan-2-yl)-6-phenylfuro[2,3-b]pyridine-2-carboxamide
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