(5E)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-[(4-fluorophenyl)methylidene]-1-phenylimidazol-4-one
Formula:C24H16N2O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-[(4-fluorophenyl)methylidene]-1-phenylimidazol-4-one is a drug-like molecule.
| MolName | (5E)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-[(4-fluorophenyl)methylidene]-1-phenylimidazol-4-one |
| MolecularFormula | C24H16N2O2ClFS |
| Smiles | O=C(CSC(N(/C1=C/c(cc2)ccc2F)c2ccccc2)=NC1=O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H16ClFN2O2S/c25-18-10-8-17(9-11-18)22(29)15-31-24-27-23(30)21(14-16-6-12-19(26)13-7-16)28(24)20-4-2-1-3-5-20/h1-14H,15H2 |
| InChIK | VDFSJVAATTUQTB-UHFFFAOYSA-N |
| TotalMolweight | 450.92 |
| Molweight | 450.92 |
| MonoisotopicMass | 450.060503 |
| CLogP | 4.9311 |
| CLogS | -7.502 |
| H Acceptors | 4 |
| TotalSurfaceArea | 325.78 |
| Relative PSA | 0.17997 |
| PolarSurfaceArea | 75.04 |
| Druglikeness | 2.152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-[(4-fluorophenyl)methylidene]-1-phenylimidazol-4-one | 2 - (5E)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-[(4-fluorophenyl)methylidene]-1-phenylimidazol-4-one
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