N-[2-oxo-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
Formula:C24H21N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C24H21N3O5 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H21N3O5/c28-23(14-25-24(29)18-10-11-21-22(12-18)32-16-31-21)27-26-13-19-8-4-5-9-20(19)30-15-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,29)(H,27,28) |
| InChIK | DZYMMHWRCPXMHT-UHFFFAOYSA-N |
| TotalMolweight | 431.447 |
| Molweight | 431.447 |
| MonoisotopicMass | 431.148122 |
| CLogP | 3.7448 |
| CLogS | -5.54 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 333.74 |
| Relative PSA | 0.2712 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 4.9832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-oxo-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-oxo-2-[(2Z)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
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