(5E)-3-[2-(1-benzothiophen-3-yl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
Formula:C26H19N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[2-(1-benzothiophen-3-yl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5E)-3-[2-(1-benzothiophen-3-yl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one |
| MolecularFormula | C26H19N2OClS |
| Smiles | O=C1N(CCc2csc3c2cccc3)C(c2ccccc2)=N/C1=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C26H19ClN2OS/c27-21-12-10-18(11-13-21)16-23-26(30)29(25(28-23)19-6-2-1-3-7-19)15-14-20-17-31-24-9-5-4-8-22(20)24/h1-13,16-17H,14-15H2 |
| InChIK | CRJGFVGCVJXOPY-UHFFFAOYSA-N |
| TotalMolweight | 442.969 |
| Molweight | 442.969 |
| MonoisotopicMass | 442.09066 |
| CLogP | 5.9944 |
| CLogS | -6.831 |
| H Acceptors | 3 |
| TotalSurfaceArea | 328.49 |
| Relative PSA | 0.14752 |
| PolarSurfaceArea | 60.91 |
| Druglikeness | 5.0782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-3-[2-(1-benzothiophen-3-yl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one | 2 - (5E)-3-[2-(1-benzothiophen-3-yl)ethyl]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
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