N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
Formula:C25H20N4OBrClS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C25H20N4OBrClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C25H20BrClN4OS/c26-20(14-18-6-2-1-3-7-18)15-28-30-24(32)17-33-25-29-22-8-4-5-9-23(22)31(25)16-19-10-12-21(27)13-11-19/h1-15H,16-17H2,(H,30,32) |
| InChIK | RSDFFISHAGFEMN-UHFFFAOYSA-N |
| TotalMolweight | 539.884 |
| Molweight | 539.884 |
| MonoisotopicMass | 538.022969 |
| CLogP | 5.9633 |
| CLogS | -6.557 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 373.08 |
| Relative PSA | 0.19122 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 1.1286 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
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