N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
Formula:C21H16N4OBrClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C21H16N4OBrClS2 |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C21H16BrClN4OS2/c22-19-10-9-16(30-19)11-24-26-20(28)13-29-21-25-17-3-1-2-4-18(17)27(21)12-14-5-7-15(23)8-6-14/h1-11H,12-13H2,(H,26,28) |
| InChIK | BSVWCKQYSWWARJ-UHFFFAOYSA-N |
| TotalMolweight | 519.874 |
| Molweight | 519.874 |
| MonoisotopicMass | 517.963739 |
| CLogP | 6.1489 |
| CLogS | -6.293 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 344.31 |
| Relative PSA | 0.26633 |
| PolarSurfaceArea | 112.82 |
| Druglikeness | 3.8041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide | 2 - N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
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