N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C28H24N4O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C28H24N4O |
| Smiles | O=C(CNc1cc2ccccc2cc1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C28H24N4O/c33-28(18-29-25-15-14-22-10-4-5-11-23(22)16-25)31-30-17-24-20-32(19-21-8-2-1-3-9-21)27-13-7-6-12-26(24)27/h1-17,20,29H,18-19H2,(H,31,33) |
| InChIK | DRGXRSNBJBTUCX-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 | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| 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 |
Click to Load Molecule:
1 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off