| MolName | 3-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-diphenylfuro[2,3-b]pyridine-2-carboxamide |
| MolecularFormula | C27H19N4O2Cl |
| Smiles | Nc1c(C(N/N=C\c(cc2)ccc2Cl)=O)oc2c1c(-c1ccccc1)cc(-c1ccccc1)n2 |
| InChI | InChI=1S/C27H19ClN4O2/c28-20-13-11-17(12-14-20)16-30-32-26(33)25-24(29)23-21(18-7-3-1-4-8-18)15-22(31-27(23)34-25)19-9-5-2-6-10-19/h1-16H,29H2,(H,32,33) |
| InChIK | ZSQPOEHEGYJDAB-UHFFFAOYSA-N |
| TotalMolweight | 466.927 |
| Molweight | 466.927 |
| MonoisotopicMass | 466.119653 |
| CLogP | 6.3273 |
| CLogS | -9.63 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 353.5 |
| Relative PSA | 0.21601 |
| PolarSurfaceArea | 93.51 |
| Druglikeness | 4.508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-diphenylfuro[2,3-b]pyridine-2-carboxamide | 2 - 3-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-diphenylfuro[2,3-b]pyridine-2-carboxamide