N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Formula:C20H16N3O3Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide |
| MolecularFormula | C20H16N3O3Br |
| Smiles | O=C(CNc1cc2ccccc2cc1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C20H16BrN3O3/c21-17-9-19-18(26-12-27-19)8-15(17)10-23-24-20(25)11-22-16-6-5-13-3-1-2-4-14(13)7-16/h1-10,22H,11-12H2,(H,24,25) |
| InChIK | BVMJOSXFKCGPII-UHFFFAOYSA-N |
| TotalMolweight | 426.269 |
| Molweight | 426.269 |
| MonoisotopicMass | 425.037503 |
| CLogP | 4.5245 |
| CLogS | -6.694 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.7 |
| Relative PSA | 0.23616 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | 3.0655 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
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