(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
Formula:C20H19N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C20H19N2O2ClS |
| Smiles | O=C(/C(/N1)=C\c2ccc(-c3cccc(Cl)c3)o2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C20H19ClN2O2S/c21-14-6-4-5-13(11-14)18-10-9-16(25-18)12-17-19(24)23(20(26)22-17)15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8H2,(H,22,26) |
| InChIK | ZYBCTJUPRPJOGD-UHFFFAOYSA-N |
| TotalMolweight | 386.902 |
| Molweight | 386.902 |
| MonoisotopicMass | 386.085575 |
| CLogP | 4.5823 |
| CLogS | -6.228 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.36 |
| Relative PSA | 0.24247 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -1.0999 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
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