N-(2,6-dichlorophenyl)-4-[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide
Formula:C29H18N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,6-dichlorophenyl)-4-[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide is not a drug-like molecule.
| MolName | N-(2,6-dichlorophenyl)-4-[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide |
| MolecularFormula | C29H18N4O4Cl2 |
| Smiles | [O-][N+](c1ccc(/C=C(/C2=O)\N=C(c3ccccc3)N2c(cc2)ccc2C(Nc(c(Cl)ccc2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C29H18Cl2N4O4/c30-23-7-4-8-24(31)26(23)33-28(36)20-11-15-21(16-12-20)34-27(19-5-2-1-3-6-19)32-25(29(34)37)17-18-9-13-22(14-10-18)35(38)39/h1-17H,(H,33,36) |
| InChIK | PHEYZOWDIDGYSM-UHFFFAOYSA-N |
| TotalMolweight | 557.392 |
| Molweight | 557.392 |
| MonoisotopicMass | 556.07051 |
| CLogP | 5.5753 |
| CLogS | -8.71 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 398.49 |
| Relative PSA | 0.20834 |
| PolarSurfaceArea | 107.59 |
| Druglikeness | -1.4563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 9 |
| Amides | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(2,6-dichlorophenyl)-4-[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide | 2 - N-(2,6-dichlorophenyl)-4-[(4Z)-4-[(4-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide
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