(5Z)-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)imidazol-4-one
Formula:C28H25N2O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)imidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)imidazol-4-one |
| MolecularFormula | C28H25N2O2Cl3S |
| Smiles | O=C(CSC(N(C1=O)c2cccc(Cl)c2Cl)=N/C1=C\c(cc1)ccc1Cl)C1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C28H25Cl3N2O2S/c29-20-6-4-16(5-7-20)11-22-26(35)33(23-3-1-2-21(30)25(23)31)27(32-22)36-15-24(34)28-12-17-8-18(13-28)10-19(9-17)14-28/h1-7,11,17-19H,8-10,12-15H2 |
| InChIK | WIWBHLRMAGPQQE-UHFFFAOYSA-N |
| TotalMolweight | 559.944 |
| Molweight | 559.944 |
| MonoisotopicMass | 558.070229 |
| CLogP | 6.7872 |
| CLogS | -9.421 |
| H Acceptors | 4 |
| TotalSurfaceArea | 380.48 |
| Relative PSA | 0.15409 |
| PolarSurfaceArea | 75.04 |
| Druglikeness | 4.5162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)imidazol-4-one | 2 - (5Z)-2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-(2,3-dichlorophenyl)imidazol-4-one
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