2,4,4,4-tetrachloro-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]butanamide
Formula:C18H13N3O3Cl4
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
2,4,4,4-tetrachloro-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]butanamide is a drug-like molecule.
| MolName | 2,4,4,4-tetrachloro-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]butanamide |
| MolecularFormula | C18H13N3O3Cl4 |
| Smiles | O=C(C(CC(Cl)(Cl)Cl)Cl)NN(C1=O)C(c2ccccc2)=N/C1=C\c1ccco1 |
| InChI | InChI=1S/C18H13Cl4N3O3/c19-13(10-18(20,21)22)16(26)24-25-15(11-5-2-1-3-6-11)23-14(17(25)27)9-12-7-4-8-28-12/h1-9,13H,10H2,(H,24,26)/t13-/m0/s1 |
| InChIK | VNINXEWTYNHBQU-ZDUSSCGKSA-N |
| TotalMolweight | 461.131 |
| Molweight | 461.131 |
| MonoisotopicMass | 458.9711 |
| CLogP | 3.0548 |
| CLogS | -5.547 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 312.5 |
| Relative PSA | 0.21347 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | 3.617 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - 2,4,4,4-tetrachloro-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]butanamide | 2 - 2,4,4,4-tetrachloro-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]butanamide
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