2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C10H7N4OBrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C10H7N4OBrCl2S |
| Smiles | O=C(Cn1c(Br)nc(Cl)c1Cl)N/N=C\c1cccs1 |
| InChI | InChI=1S/C10H7BrCl2N4OS/c11-10-15-8(12)9(13)17(10)5-7(18)16-14-4-6-2-1-3-19-6/h1-4H,5H2,(H,16,18) |
| InChIK | IHVTYLSOGSJUDD-UHFFFAOYSA-N |
| TotalMolweight | 382.069 |
| Molweight | 382.069 |
| MonoisotopicMass | 379.890096 |
| CLogP | 3.2299 |
| CLogS | -3.277 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.12 |
| Relative PSA | 0.31697 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 5.7584 |
| 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 | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-(2-bromo-4,5-dichloroimidazol-1-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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