4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide
Formula:C22H17N4OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H17N4OFS |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3[nH]2)cc1)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C22H17FN4OS/c23-18-6-2-1-5-17(18)13-24-27-21(28)16-11-9-15(10-12-16)14-29-22-25-19-7-3-4-8-20(19)26-22/h1-13H,14H2,(H,25,26)(H,27,28) |
| InChIK | SXWFRERNVGFWEQ-UHFFFAOYSA-N |
| TotalMolweight | 404.468 |
| Molweight | 404.468 |
| MonoisotopicMass | 404.110709 |
| CLogP | 5.1055 |
| CLogS | -6.444 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 307.28 |
| Relative PSA | 0.25534 |
| PolarSurfaceArea | 95.44 |
| Druglikeness | 3.5421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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