2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
Formula:C21H19N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide |
| MolecularFormula | C21H19N3O6S |
| Smiles | O=C(CN(Cc1ccco1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C21H19N3O6S/c25-21(23-22-12-16-8-9-19-20(11-16)30-15-29-19)14-24(13-17-5-4-10-28-17)31(26,27)18-6-2-1-3-7-18/h1-12H,13-15H2,(H,23,25) |
| InChIK | HWILDKFJOQXXDJ-UHFFFAOYSA-N |
| TotalMolweight | 441.463 |
| Molweight | 441.463 |
| MonoisotopicMass | 441.099457 |
| CLogP | 2.7833 |
| CLogS | -4.338 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 323.1 |
| Relative PSA | 0.31647 |
| PolarSurfaceArea | 118.82 |
| Druglikeness | -0.71948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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)-1,3-benzodioxol-5-ylmethylideneamino]acetamide | 2 - 2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
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