| MolName | 2-[[4-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide |
| MolecularFormula | C17H14N5OFS |
| Smiles | NC(CSc1nnc2n1c(cccc1)c1n2Cc(cccc1)c1F)=O |
| InChI | InChI=1S/C17H14FN5OS/c18-12-6-2-1-5-11(12)9-22-13-7-3-4-8-14(13)23-16(22)20-21-17(23)25-10-15(19)24/h1-8H,9-10H2,(H2,19,24) |
| InChIK | DJGLQEKAZOZURJ-UHFFFAOYSA-N |
| TotalMolweight | 355.396 |
| Molweight | 355.396 |
| MonoisotopicMass | 355.090308 |
| CLogP | 1.7663 |
| CLogS | -2.722 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.22 |
| Relative PSA | 0.32097 |
| PolarSurfaceArea | 103.51 |
| Druglikeness | 2.755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-[[4-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide | 2 - 2-[[4-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetamide