N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
Formula:C20H15N2O4Br
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide |
| MolecularFormula | C20H15N2O4Br |
| Smiles | O=C(COc(ccc1ccccc11)c1Br)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C20H15BrN2O4/c21-20-15-4-2-1-3-14(15)6-8-17(20)25-11-19(24)23-22-10-13-5-7-16-18(9-13)27-12-26-16/h1-10H,11-12H2,(H,23,24) |
| InChIK | ONUUIFIRCLKKAQ-UHFFFAOYSA-N |
| TotalMolweight | 427.253 |
| Molweight | 427.253 |
| MonoisotopicMass | 426.021519 |
| CLogP | 4.8075 |
| CLogS | -6.652 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 284.24 |
| Relative PSA | 0.23223 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.3454 |
| Mutagenic | low |
| Tumorigenic | low |
| 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 | 5 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
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