N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
Formula:C23H17N4OBrClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C23H17N4OBrClFS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c(cc(cc1)Br)c1F |
| InChI | InChI=1S/C23H17BrClFN4OS/c24-17-7-10-19(26)16(11-17)12-27-29-22(31)14-32-23-28-20-3-1-2-4-21(20)30(23)13-15-5-8-18(25)9-6-15/h1-12H,13-14H2,(H,29,31) |
| InChIK | PJFJDJDWUVCTLW-UHFFFAOYSA-N |
| TotalMolweight | 531.836 |
| Molweight | 531.836 |
| MonoisotopicMass | 529.997897 |
| CLogP | 6.1784 |
| CLogS | -6.58 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 354.72 |
| Relative PSA | 0.20112 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 3.1432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide | 2 - N-[(Z)-(5-bromo-2-fluorophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
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