2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
Formula:C23H18N4OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C23H18N4OClFS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c1cc(F)ccc1 |
| InChI | InChI=1S/C23H18ClFN4OS/c24-18-10-8-16(9-11-18)14-29-21-7-2-1-6-20(21)27-23(29)31-15-22(30)28-26-13-17-4-3-5-19(25)12-17/h1-13H,14-15H2,(H,28,30) |
| InChIK | HNTNEIMCDQCLIQ-UHFFFAOYSA-N |
| TotalMolweight | 452.94 |
| Molweight | 452.94 |
| MonoisotopicMass | 452.087386 |
| CLogP | 5.4532 |
| CLogS | -5.746 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.09 |
| Relative PSA | 0.21226 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 4.9332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide | 2 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
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