(2Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide
Formula:C19H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide is a drug-like molecule.
| MolName | (2Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide |
| MolecularFormula | C19H18N2O4 |
| Smiles | OCC/C(/C(N/N=C\c(cc1)cc2c1OCO2)=O)=C/c1ccccc1 |
| InChI | InChI=1S/C19H18N2O4/c22-9-8-16(10-14-4-2-1-3-5-14)19(23)21-20-12-15-6-7-17-18(11-15)25-13-24-17/h1-7,10-12,22H,8-9,13H2,(H,21,23) |
| InChIK | KDXWMGZVPYYPRY-UHFFFAOYSA-N |
| TotalMolweight | 338.362 |
| Molweight | 338.362 |
| MonoisotopicMass | 338.126658 |
| CLogP | 3.7763 |
| CLogS | -4.689 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.83 |
| Relative PSA | 0.25998 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 3.5921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (2Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide | 2 - (2Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-benzylidene-4-hydroxybutanamide
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