(5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one
Formula:C19H14N2O5F2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one is a drug-like molecule.
| MolName | (5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one |
| MolecularFormula | C19H14N2O5F2S |
| Smiles | O=C1OCCC1SC(N(C1=O)c(cc2)ccc2OC(F)F)=N/C1=C/c1ccco1 |
| InChI | InChI=1S/C19H14F2N2O5S/c20-18(21)28-12-5-3-11(4-6-12)23-16(24)14(10-13-2-1-8-26-13)22-19(23)29-15-7-9-27-17(15)25/h1-6,8,10,15,18H,7,9H2/t15-/m0/s1 |
| InChIK | RDJLDBOPSAMRKO-HNNXBMFYSA-N |
| TotalMolweight | 420.391 |
| Molweight | 420.391 |
| MonoisotopicMass | 420.059149 |
| CLogP | 2.0871 |
| CLogS | -5.355 |
| H Acceptors | 7 |
| TotalSurfaceArea | 291.9 |
| Relative PSA | 0.31771 |
| PolarSurfaceArea | 106.64 |
| Druglikeness | 2.1443 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one | 2 - (5E)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one
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