N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C25H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C25H19N3O2 |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H19N3O2/c29-25(24-14-19-10-4-7-13-23(19)30-24)27-26-15-20-17-28(16-18-8-2-1-3-9-18)22-12-6-5-11-21(20)22/h1-15,17H,16H2,(H,27,29) |
| InChIK | LOYODZORRJIQDU-UHFFFAOYSA-N |
| TotalMolweight | 393.445 |
| Molweight | 393.445 |
| MonoisotopicMass | 393.147727 |
| CLogP | 5.2369 |
| CLogS | -5.882 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 308.6 |
| Relative PSA | 0.18467 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 6.2406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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