2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C16H16N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C16H16N4O5S |
| Smiles | O=C(CNS(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H16N4O5S/c21-16(20-18-10-12-2-1-5-17-9-12)11-19-26(22,23)13-3-4-14-15(8-13)25-7-6-24-14/h1-5,8-10,19H,6-7,11H2,(H,20,21) |
| InChIK | RUCIKVFIPAPESP-UHFFFAOYSA-N |
| TotalMolweight | 376.392 |
| Molweight | 376.392 |
| MonoisotopicMass | 376.084141 |
| CLogP | 0.9498 |
| CLogS | -2.423 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 273.57 |
| Relative PSA | 0.3912 |
| PolarSurfaceArea | 127.36 |
| Druglikeness | -1.7378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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