(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)chromene-3-carboxamide
Formula:C24H19N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)chromene-3-carboxamide |
| MolecularFormula | C24H19N3O6S |
| Smiles | O=C(C1=Cc(cccc2)c2O/C1=N/NS(c1ccccc1)(=O)=O)Nc(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C24H19N3O6S/c28-23(25-17-10-11-21-22(15-17)32-13-12-31-21)19-14-16-6-4-5-9-20(16)33-24(19)26-27-34(29,30)18-7-2-1-3-8-18/h1-11,14-15,27H,12-13H2,(H,25,28) |
| InChIK | KBSUJXHCRRLSSN-UHFFFAOYSA-N |
| TotalMolweight | 477.496 |
| Molweight | 477.496 |
| MonoisotopicMass | 477.099457 |
| CLogP | 2.9867 |
| CLogS | -3.626 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 340.23 |
| Relative PSA | 0.3117 |
| PolarSurfaceArea | 123.7 |
| Druglikeness | -12.495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)chromene-3-carboxamide | 2 - (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)chromene-3-carboxamide
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