N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
Formula:C28H24N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide |
| MolecularFormula | C28H24N4O |
| Smiles | O=C(CNc1cccc2ccccc12)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C28H24N4O/c33-28(18-29-26-15-8-12-22-11-4-5-13-24(22)26)31-30-17-23-20-32(19-21-9-2-1-3-10-21)27-16-7-6-14-25(23)27/h1-17,20,29H,18-19H2,(H,31,33) |
| InChIK | XFUSPXJQEXISOO-UHFFFAOYSA-N |
| TotalMolweight | 432.526 |
| Molweight | 432.526 |
| MonoisotopicMass | 432.195011 |
| CLogP | 5.2176 |
| CLogS | -6.127 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 344.13 |
| Relative PSA | 0.15791 |
| PolarSurfaceArea | 58.42 |
| Druglikeness | 6.4264 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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