2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Formula:C12H8N4OBrCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C12H8N4OBrCl3 |
| Smiles | O=C(Cn1c(Br)nc(Cl)c1Cl)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C12H8BrCl3N4O/c13-12-18-10(15)11(16)20(12)6-9(21)19-17-5-7-1-3-8(14)4-2-7/h1-5H,6H2,(H,19,21) |
| InChIK | JHGPOEIWWKCWGE-UHFFFAOYSA-N |
| TotalMolweight | 410.486 |
| Molweight | 410.486 |
| MonoisotopicMass | 407.894703 |
| CLogP | 3.9693 |
| CLogS | -4.003 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 253.6 |
| Relative PSA | 0.21234 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 4.3468 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
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