(5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
Formula:C23H23N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C23H23N2O2ClS |
| Smiles | O=C(/C(/N1)=C\c(cccc2)c2OCc(cc2)ccc2Cl)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C23H23ClN2O2S/c24-18-12-10-16(11-13-18)15-28-21-9-5-4-6-17(21)14-20-22(27)26(23(29)25-20)19-7-2-1-3-8-19/h4-6,9-14,19H,1-3,7-8,15H2,(H,25,29) |
| InChIK | CQDZCBWMUZXPRC-UHFFFAOYSA-N |
| TotalMolweight | 426.967 |
| Molweight | 426.967 |
| MonoisotopicMass | 426.116875 |
| CLogP | 4.9915 |
| CLogS | -6.109 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.43 |
| Relative PSA | 0.20422 |
| PolarSurfaceArea | 73.66 |
| Druglikeness | -2.2096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one | 2 - (5E)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
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