N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C24H20N3O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C24H20N3O5Br |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H20BrN3O5/c25-19-7-9-20(31-14-16-4-2-1-3-5-16)18(10-19)12-27-28-23(29)13-26-24(30)17-6-8-21-22(11-17)33-15-32-21/h1-12H,13-15H2,(H,26,30)(H,28,29) |
| InChIK | PHGZLLKHXQPAGQ-UHFFFAOYSA-N |
| TotalMolweight | 510.343 |
| Molweight | 510.343 |
| MonoisotopicMass | 509.058633 |
| CLogP | 4.47 |
| CLogS | -6.374 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 352.37 |
| Relative PSA | 0.25686 |
| PolarSurfaceArea | 98.25 |
| Druglikeness | 3.1932 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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