N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
Formula:C26H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C26H18N4O2 |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=N\NC(c3cc(cccc4)c4o3)=O)c2)cccc1 |
| InChI | InChI=1S/C26H18N4O2/c27-14-19-8-1-2-9-20(19)16-30-17-21(22-10-4-5-11-23(22)30)15-28-29-26(31)25-13-18-7-3-6-12-24(18)32-25/h1-13,15,17H,16H2,(H,29,31) |
| InChIK | BQEPFRSHEZBZNV-UHFFFAOYSA-N |
| TotalMolweight | 418.455 |
| Molweight | 418.455 |
| MonoisotopicMass | 418.142976 |
| CLogP | 5.0725 |
| CLogS | -6.655 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.31 |
| Relative PSA | 0.21359 |
| PolarSurfaceArea | 83.32 |
| Druglikeness | 1.9606 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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