N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetamide
Formula:C29H24N3O5FS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetamide |
| MolecularFormula | C29H24N3O5FS |
| Smiles | O=C(CN(c(cc1)ccc1F)S(c(cc1)cc2c1OCCO2)(=O)=O)N/N=C\c1ccc(CC2)c3c2cccc13 |
| InChI | InChI=1S/C29H24FN3O5S/c30-22-8-10-23(11-9-22)33(39(35,36)24-12-13-26-27(16-24)38-15-14-37-26)18-28(34)32-31-17-21-7-6-20-5-4-19-2-1-3-25(21)29(19)20/h1-3,6-13,16-17H,4-5,14-15,18H2,(H,32,34) |
| InChIK | UPGDMQAPDQQYCI-UHFFFAOYSA-N |
| TotalMolweight | 545.59 |
| Molweight | 545.59 |
| MonoisotopicMass | 545.14207 |
| CLogP | 4.7976 |
| CLogS | -7.58 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 388.38 |
| Relative PSA | 0.22694 |
| PolarSurfaceArea | 105.68 |
| Druglikeness | -4.0887 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetamide | 2 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetamide
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