2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Formula:C17H14N4O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C17H14N4O2Cl2S |
| Smiles | O=C(COc1c(Cn(cn2)c(Cl)c2Cl)cccc1)N/N=C/c1cccs1 |
| InChI | InChI=1S/C17H14Cl2N4O2S/c18-16-17(19)23(11-20-16)9-12-4-1-2-6-14(12)25-10-15(24)22-21-8-13-5-3-7-26-13/h1-8,11H,9-10H2,(H,22,24) |
| InChIK | HDPULINPOPXYIO-UHFFFAOYSA-N |
| TotalMolweight | 409.296 |
| Molweight | 409.296 |
| MonoisotopicMass | 408.02145 |
| CLogP | 3.7004 |
| CLogS | -3.777 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.01 |
| Relative PSA | 0.28163 |
| PolarSurfaceArea | 96.75 |
| Druglikeness | 7.5913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[2-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
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