2-(3-fluorophenoxy)-N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C23H18N5O5FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(3-fluorophenoxy)-N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-fluorophenoxy)-N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H18N5O5FS |
| Smiles | O=C(COc1cc(F)ccc1)N/N=C\c1ccc(-c(cc2)ccc2S(Nc2ncccn2)(=O)=O)o1 |
| InChI | InChI=1S/C23H18FN5O5S/c24-17-3-1-4-18(13-17)33-15-22(30)28-27-14-19-7-10-21(34-19)16-5-8-20(9-6-16)35(31,32)29-23-25-11-2-12-26-23/h1-14H,15H2,(H,28,30)(H,25,26,29) |
| InChIK | WAZUNNAZIWYXHY-UHFFFAOYSA-N |
| TotalMolweight | 495.49 |
| Molweight | 495.49 |
| MonoisotopicMass | 495.101268 |
| CLogP | 2.9216 |
| CLogS | -5.875 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 363.87 |
| Relative PSA | 0.33556 |
| PolarSurfaceArea | 144.16 |
| Druglikeness | 5.9202 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(3-fluorophenoxy)-N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-(3-fluorophenoxy)-N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]acetamide
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