(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
Formula:C25H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one |
| MolecularFormula | C25H17N3O2S |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2cc(Oc3ccccc3)ccc2)N1c1nccs1 |
| InChI | InChI=1S/C25H17N3O2S/c29-24-22(17-18-8-7-13-21(16-18)30-20-11-5-2-6-12-20)27-23(19-9-3-1-4-10-19)28(24)25-26-14-15-31-25/h1-17H |
| InChIK | QPLHEMYHCSQSFM-UHFFFAOYSA-N |
| TotalMolweight | 423.495 |
| Molweight | 423.495 |
| MonoisotopicMass | 423.104147 |
| CLogP | 5.2173 |
| CLogS | -7.296 |
| H Acceptors | 5 |
| TotalSurfaceArea | 319.47 |
| Relative PSA | 0.21733 |
| PolarSurfaceArea | 83.03 |
| Druglikeness | 3.6772 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one | 2 - (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
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