| MolName | (2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C23H15N2O2ClS |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2OCc(cccc2)c2Cl)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C23H15ClN2O2S/c24-17-9-3-1-8-16(17)14-28-20-12-6-2-7-15(20)13-21-22(27)26-19-11-5-4-10-18(19)25-23(26)29-21/h1-13H,14H2 |
| InChIK | AQAGZWYPCDKLHT-UHFFFAOYSA-N |
| TotalMolweight | 418.903 |
| Molweight | 418.903 |
| MonoisotopicMass | 418.054275 |
| CLogP | 5.4603 |
| CLogS | -6.212 |
| H Acceptors | 4 |
| TotalSurfaceArea | 300.97 |
| Relative PSA | 0.19394 |
| PolarSurfaceArea | 69.42 |
| Druglikeness | 3.1946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one