N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C29H21N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C29H21N3O2 |
| Smiles | O=C(c1cc(c2ccccc2cc2)c2o1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C29H21N3O2/c33-29(28-16-25-23-11-5-4-10-21(23)14-15-27(25)34-28)31-30-17-22-19-32(18-20-8-2-1-3-9-20)26-13-7-6-12-24(22)26/h1-17,19H,18H2,(H,31,33) |
| InChIK | PXDJTWBQGJGQPM-UHFFFAOYSA-N |
| TotalMolweight | 443.505 |
| Molweight | 443.505 |
| MonoisotopicMass | 443.163377 |
| CLogP | 6.4313 |
| CLogS | -7.488 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 343.2 |
| Relative PSA | 0.16605 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 6.2406 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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