(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
Formula:C17H10N2O2Cl2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H10N2O2Cl2F2S |
| Smiles | O=C(/C(/NC1=S)=C/c(ccc(Cl)c2)c2Cl)N1c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C17H10Cl2F2N2O2S/c18-10-2-1-9(13(19)8-10)7-14-15(24)23(17(26)22-14)11-3-5-12(6-4-11)25-16(20)21/h1-8,16H,(H,22,26) |
| InChIK | VGKTVUSFOUCTOW-UHFFFAOYSA-N |
| TotalMolweight | 415.246 |
| Molweight | 415.246 |
| MonoisotopicMass | 413.980808 |
| CLogP | 4.3583 |
| CLogS | -6.397 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.49 |
| Relative PSA | 0.23381 |
| PolarSurfaceArea | 73.66 |
| Druglikeness | 0.0061405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-[4-(difluoromethoxy)phenyl]-2-sulfanylideneimidazolidin-4-one
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