N-[(Z)-(3-bromophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
Formula:C23H18N4OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C23H18N4OBrClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C23H18BrClN4OS/c24-18-5-3-4-17(12-18)13-26-28-22(30)15-31-23-27-20-6-1-2-7-21(20)29(23)14-16-8-10-19(25)11-9-16/h1-13H,14-15H2,(H,28,30) |
| InChIK | YYDGRBOLDYTSKT-UHFFFAOYSA-N |
| TotalMolweight | 513.846 |
| Molweight | 513.846 |
| MonoisotopicMass | 512.007319 |
| CLogP | 6.0776 |
| CLogS | -6.266 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.37 |
| Relative PSA | 0.20478 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 4.4832 |
| 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 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
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