2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide
Formula:C21H18N3O6BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide |
| MolecularFormula | C21H18N3O6BrS |
| Smiles | O=C(CN(Cc1ccco1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C21H18BrN3O6S/c22-18-10-20-19(30-14-31-20)9-15(18)11-23-24-21(26)13-25(12-16-5-4-8-29-16)32(27,28)17-6-2-1-3-7-17/h1-11H,12-14H2,(H,24,26) |
| InChIK | NFDDEEHGJICQTG-UHFFFAOYSA-N |
| TotalMolweight | 520.359 |
| Molweight | 520.359 |
| MonoisotopicMass | 519.009968 |
| CLogP | 3.5085 |
| CLogS | -5.172 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 341.73 |
| Relative PSA | 0.29921 |
| PolarSurfaceArea | 118.82 |
| Druglikeness | -2.4916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide | 2 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]acetamide
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