2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
Formula:C24H22N3O5FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C24H22N3O5FS |
| Smiles | O=C(CN(Cc1ccccc1)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C24H22FN3O5S/c25-20-8-6-18(7-9-20)15-26-27-24(29)17-28(16-19-4-2-1-3-5-19)34(30,31)21-10-11-22-23(14-21)33-13-12-32-22/h1-11,14-15H,12-13,16-17H2,(H,27,29) |
| InChIK | JIVJNOHXXSKWSA-UHFFFAOYSA-N |
| TotalMolweight | 483.519 |
| Molweight | 483.519 |
| MonoisotopicMass | 483.12642 |
| CLogP | 3.5628 |
| CLogS | -4.441 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 353.52 |
| Relative PSA | 0.24932 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -2.1354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide | 2 - 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
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