(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
Formula:C16H9N2OCl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C16H9N2OCl2FS |
| Smiles | O=C(/C(/NC1=S)=C/c(cc2)cc(Cl)c2Cl)N1c(cccc1)c1F |
| InChI | InChI=1S/C16H9Cl2FN2OS/c17-10-6-5-9(7-11(10)18)8-13-15(22)21(16(23)20-13)14-4-2-1-3-12(14)19/h1-8H,(H,20,23) |
| InChIK | OSMGJNMAUTVZKV-UHFFFAOYSA-N |
| TotalMolweight | 367.23 |
| Molweight | 367.23 |
| MonoisotopicMass | 365.979665 |
| CLogP | 4.2897 |
| CLogS | -6.089 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.64 |
| Relative PSA | 0.22098 |
| PolarSurfaceArea | 64.43 |
| Druglikeness | 1.4431 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
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