| MolName | 2-[2-chloro-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide |
| MolecularFormula | C24H15N3O3ClFS |
| Smiles | O=C(COc(ccc(/C=C1\Sc2nc(cccc3)c3n2C1=O)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C24H15ClFN3O3S/c25-15-11-14(9-10-20(15)32-13-22(30)27-17-6-2-1-5-16(17)26)12-21-23(31)29-19-8-4-3-7-18(19)28-24(29)33-21/h1-12H,13H2,(H,27,30) |
| InChIK | SYRWUEWRDNLGIT-UHFFFAOYSA-N |
| TotalMolweight | 479.918 |
| Molweight | 479.918 |
| MonoisotopicMass | 479.050667 |
| CLogP | 4.9354 |
| CLogS | -6.477 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 336.53 |
| Relative PSA | 0.24625 |
| PolarSurfaceArea | 98.52 |
| Druglikeness | 2.5683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[2-chloro-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide | 2 - 2-[2-chloro-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide