N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Formula:C24H20N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
| MolecularFormula | C24H20N2O3S |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c1c2OCCOc2ccc1 |
| InChI | InChI=1S/C24H20N2O3S/c27-22(26-25-14-16-6-5-11-21-23(16)29-13-12-28-21)15-30-24-19-9-3-1-7-17(19)18-8-2-4-10-20(18)24/h1-11,14,24H,12-13,15H2,(H,26,27) |
| InChIK | LNNPNVLYFZCTFW-UHFFFAOYSA-N |
| TotalMolweight | 416.5 |
| Molweight | 416.5 |
| MonoisotopicMass | 416.119463 |
| CLogP | 4.7307 |
| CLogS | -8.12 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 311.02 |
| Relative PSA | 0.23632 |
| PolarSurfaceArea | 85.22 |
| Druglikeness | -1.4 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
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