N-[2-[(2Z)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C24H20N4O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C24H20N4O7 |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(CNC(c(cc3)cc4c3OCO4)=O)=O)cc2)cc1)=O |
| InChI | InChI=1S/C24H20N4O7/c29-23(13-25-24(30)18-5-10-21-22(11-18)35-15-34-21)27-26-12-16-3-8-20(9-4-16)33-14-17-1-6-19(7-2-17)28(31)32/h1-12H,13-15H2,(H,25,30)(H,27,29) |
| InChIK | GOMOOMQRLSTEAC-UHFFFAOYSA-N |
| TotalMolweight | 476.444 |
| Molweight | 476.444 |
| MonoisotopicMass | 476.133201 |
| CLogP | 2.8232 |
| CLogS | -6 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 357.41 |
| Relative PSA | 0.33835 |
| PolarSurfaceArea | 144.07 |
| Druglikeness | -0.073886 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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