(5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
Formula:C19H12N3OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one |
| MolecularFormula | C19H12N3OClS |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c(cccc2)c2Cl)N1c1nccs1 |
| InChI | InChI=1S/C19H12ClN3OS/c20-15-9-5-4-8-14(15)12-16-18(24)23(19-21-10-11-25-19)17(22-16)13-6-2-1-3-7-13/h1-12H |
| InChIK | XWWOLAHGEUNKLP-UHFFFAOYSA-N |
| TotalMolweight | 365.843 |
| Molweight | 365.843 |
| MonoisotopicMass | 365.038959 |
| CLogP | 4.4277 |
| CLogS | -5.735 |
| H Acceptors | 4 |
| TotalSurfaceArea | 265.13 |
| Relative PSA | 0.22415 |
| PolarSurfaceArea | 73.8 |
| Druglikeness | 3.7606 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one | 2 - (5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
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