2-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-1-[4-(difluoromethoxy)phenyl]-5-oxoimidazol-2-yl]sulfanylacetonitrile
Formula:C19H11N3O2Cl2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-1-[4-(difluoromethoxy)phenyl]-5-oxoimidazol-2-yl]sulfanylacetonitrile is a drug-like molecule.
| MolName | 2-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-1-[4-(difluoromethoxy)phenyl]-5-oxoimidazol-2-yl]sulfanylacetonitrile |
| MolecularFormula | C19H11N3O2Cl2F2S |
| Smiles | N#CCSC(N(C1=O)c(cc2)ccc2OC(F)F)=N/C1=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H11Cl2F2N3O2S/c20-12-2-1-11(15(21)10-12)9-16-17(27)26(19(25-16)29-8-7-24)13-3-5-14(6-4-13)28-18(22)23/h1-6,9-10,18H,8H2 |
| InChIK | MVMBDQIDPASDIW-UHFFFAOYSA-N |
| TotalMolweight | 454.283 |
| Molweight | 454.283 |
| MonoisotopicMass | 452.991707 |
| CLogP | 4.2977 |
| CLogS | -7.378 |
| H Acceptors | 5 |
| TotalSurfaceArea | 314.25 |
| Relative PSA | 0.22005 |
| PolarSurfaceArea | 90.99 |
| Druglikeness | -3.6463 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-1-[4-(difluoromethoxy)phenyl]-5-oxoimidazol-2-yl]sulfanylacetonitrile | 2 - 2-[(4Z)-4-[(2,4-dichlorophenyl)methylidene]-1-[4-(difluoromethoxy)phenyl]-5-oxoimidazol-2-yl]sulfanylacetonitrile
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