(2Z)-2-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C22H13N2OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C22H13N2OClS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Sc(cc2)ccc2Cl)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C22H13ClN2OS2/c23-15-7-11-17(12-8-15)27-16-9-5-14(6-10-16)13-20-21(26)25-19-4-2-1-3-18(19)24-22(25)28-20/h1-13H |
| InChIK | QATAAWRAAKLLGD-UHFFFAOYSA-N |
| TotalMolweight | 420.943 |
| Molweight | 420.943 |
| MonoisotopicMass | 420.01578 |
| CLogP | 5.9333 |
| CLogS | -6.657 |
| H Acceptors | 3 |
| TotalSurfaceArea | 294.7 |
| Relative PSA | 0.22348 |
| PolarSurfaceArea | 85.49 |
| Druglikeness | 3.4133 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (2Z)-2-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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