4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Formula:C22H13N4OF5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H13N4OF5S |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3[nH]2)cc1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C22H13F5N4OS/c23-16-13(17(24)19(26)20(27)18(16)25)9-28-31-21(32)12-7-5-11(6-8-12)10-33-22-29-14-3-1-2-4-15(14)30-22/h1-9H,10H2,(H,29,30)(H,31,32) |
| InChIK | CTIVJHIYVCMVTB-UHFFFAOYSA-N |
| TotalMolweight | 476.428 |
| Molweight | 476.428 |
| MonoisotopicMass | 476.073021 |
| CLogP | 5.5087 |
| CLogS | -7.7 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 332.68 |
| Relative PSA | 0.23584 |
| PolarSurfaceArea | 95.44 |
| Druglikeness | 3.5421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide | 2 - 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
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