(2R)-2,4,4,4-tetrachloro-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]butanamide
Formula:C19H14N4O2Cl4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(2R)-2,4,4,4-tetrachloro-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]butanamide is a drug-like molecule.
| MolName | (2R)-2,4,4,4-tetrachloro-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]butanamide |
| MolecularFormula | C19H14N4O2Cl4 |
| Smiles | O=C([C@@H](CC(Cl)(Cl)Cl)Cl)NN(C1=O)C(c2ccccc2)=N/C1=C\c1ncccc1 |
| InChI | InChI=1S/C19H14Cl4N4O2/c20-14(11-19(21,22)23)17(28)26-27-16(12-6-2-1-3-7-12)25-15(18(27)29)10-13-8-4-5-9-24-13/h1-10,14H,11H2,(H,26,28)/t14-/m1/s1 |
| InChIK | BSXHGUHUKWCTCD-CQSZACIVSA-N |
| TotalMolweight | 472.158 |
| Molweight | 472.158 |
| MonoisotopicMass | 469.987084 |
| CLogP | 2.9192 |
| CLogS | -5.094 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 321.57 |
| Relative PSA | 0.19769 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 3.789 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2R)-2,4,4,4-tetrachloro-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]butanamide | 2 - (2R)-2,4,4,4-tetrachloro-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]butanamide
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