N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
Formula:C20H17N3O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide |
| MolecularFormula | C20H17N3O5S2 |
| Smiles | O=C(c(cc1)ccc1NS(c1cccs1)(=O)=O)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C20H17N3O5S2/c24-20(22-21-13-14-3-8-17-18(12-14)28-10-9-27-17)15-4-6-16(7-5-15)23-30(25,26)19-2-1-11-29-19/h1-8,11-13,23H,9-10H2,(H,22,24) |
| InChIK | IAQVVGVBCSPBBS-UHFFFAOYSA-N |
| TotalMolweight | 443.503 |
| Molweight | 443.503 |
| MonoisotopicMass | 443.060962 |
| CLogP | 3.4686 |
| CLogS | -5.153 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 316.75 |
| Relative PSA | 0.36751 |
| PolarSurfaceArea | 142.71 |
| Druglikeness | -0.62166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
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