3-amino-4,6-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide
Formula:C25H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-4,6-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide is not a drug-like molecule.
| MolName | 3-amino-4,6-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide |
| MolecularFormula | C25H18N4O2S |
| Smiles | Nc1c(C(N/N=C\c2cccs2)=O)oc2c1c(-c1ccccc1)cc(-c1ccccc1)n2 |
| InChI | InChI=1S/C25H18N4O2S/c26-22-21-19(16-8-3-1-4-9-16)14-20(17-10-5-2-6-11-17)28-25(21)31-23(22)24(30)29-27-15-18-12-7-13-32-18/h1-15H,26H2,(H,29,30) |
| InChIK | KQVUVVYEDDELCN-UHFFFAOYSA-N |
| TotalMolweight | 438.51 |
| Molweight | 438.51 |
| MonoisotopicMass | 438.115046 |
| CLogP | 5.5879 |
| CLogS | -8.904 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.02 |
| Relative PSA | 0.28956 |
| PolarSurfaceArea | 121.75 |
| Druglikeness | 5.9947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-4,6-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide | 2 - 3-amino-4,6-diphenyl-N-[(Z)-thiophen-2-ylmethylideneamino]furo[2,3-b]pyridine-2-carboxamide
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