4-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide
Formula:C24H18N3O3FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide |
| MolecularFormula | C24H18N3O3FS |
| Smiles | O=C(CSc1ccc(/C=N\NC(c(cc2)ccc2F)=O)o1)Nc1cc2ccccc2cc1 |
| InChI | InChI=1S/C24H18FN3O3S/c25-19-8-5-17(6-9-19)24(30)28-26-14-21-11-12-23(31-21)32-15-22(29)27-20-10-7-16-3-1-2-4-18(16)13-20/h1-14H,15H2,(H,27,29)(H,28,30) |
| InChIK | YJOAJWCAWSXSBX-UHFFFAOYSA-N |
| TotalMolweight | 447.489 |
| Molweight | 447.489 |
| MonoisotopicMass | 447.10529 |
| CLogP | 5.1432 |
| CLogS | -7.14 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 337.85 |
| Relative PSA | 0.27264 |
| PolarSurfaceArea | 109 |
| Druglikeness | 5.8855 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide | 2 - 4-fluoro-N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]benzamide
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