2-(1,3-benzodioxol-5-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
Formula:C23H18N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(1,3-benzodioxol-5-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzodioxol-5-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide |
| MolecularFormula | C23H18N2O4 |
| Smiles | C#CCOc1c(/C=N\NC(Cc(cc2)cc3c2OCO3)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C23H18N2O4/c1-2-11-27-20-10-8-17-5-3-4-6-18(17)19(20)14-24-25-23(26)13-16-7-9-21-22(12-16)29-15-28-21/h1,3-10,12,14H,11,13,15H2,(H,25,26) |
| InChIK | GJBNJWYDJRDXBJ-UHFFFAOYSA-N |
| TotalMolweight | 386.406 |
| Molweight | 386.406 |
| MonoisotopicMass | 386.126658 |
| CLogP | 4.4627 |
| CLogS | -6.645 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.18 |
| Relative PSA | 0.21773 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 3.9941 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]acetamide
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