2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide
Formula:C23H20N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C23H20N3O5BrS |
| Smiles | O=C(CN(Cc1ccccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C23H20BrN3O5S/c24-20-12-22-21(31-16-32-22)11-18(20)13-25-26-23(28)15-27(14-17-7-3-1-4-8-17)33(29,30)19-9-5-2-6-10-19/h1-13H,14-16H2,(H,26,28) |
| InChIK | RUSPHXDRJVEPGQ-UHFFFAOYSA-N |
| TotalMolweight | 530.398 |
| Molweight | 530.398 |
| MonoisotopicMass | 529.030703 |
| CLogP | 4.3198 |
| CLogS | -5.49 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 352.04 |
| Relative PSA | 0.25037 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -2.2404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide
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