N-[(Z)-2-[2-(1-benzofuran-2-carbonyl)hydrazinyl]prop-2-enylideneamino]-1-benzofuran-2-carboxamide
Formula:C21H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-[2-(1-benzofuran-2-carbonyl)hydrazinyl]prop-2-enylideneamino]-1-benzofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2-[2-(1-benzofuran-2-carbonyl)hydrazinyl]prop-2-enylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C21H16N4O4 |
| Smiles | C=C(/C=N\NC(c1cc(cccc2)c2o1)=O)NNC(c1cc(cccc2)c2o1)=O |
| InChI | InChI=1S/C21H16N4O4/c1-13(23-25-21(27)19-11-15-7-3-5-9-17(15)29-19)12-22-24-20(26)18-10-14-6-2-4-8-16(14)28-18/h2-12,23H,1H2,(H,24,26)(H,25,27) |
| InChIK | DQSCTLMNYZAHTF-UHFFFAOYSA-N |
| TotalMolweight | 388.382 |
| Molweight | 388.382 |
| MonoisotopicMass | 388.117156 |
| CLogP | 3.0332 |
| CLogS | -6.66 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 298.99 |
| Relative PSA | 0.33509 |
| PolarSurfaceArea | 108.87 |
| Druglikeness | 2.1013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| StereoCon |
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