| MolName | N-(3-chloro-4-fluorophenyl)-4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide |
| MolecularFormula | C29H18N3O2Cl2F |
| Smiles | O=C(c(cc1)ccc1N(C1=O)C(c2ccccc2)=N/C1=C\c(cc1)ccc1Cl)Nc(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C29H18Cl2FN3O2/c30-21-10-6-18(7-11-21)16-26-29(37)35(27(34-26)19-4-2-1-3-5-19)23-13-8-20(9-14-23)28(36)33-22-12-15-25(32)24(31)17-22/h1-17H,(H,33,36) |
| InChIK | IGICLHJQDKQNFT-UHFFFAOYSA-N |
| TotalMolweight | 530.385 |
| Molweight | 530.385 |
| MonoisotopicMass | 529.076009 |
| CLogP | 6.6567 |
| CLogS | -8.564 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 381.17 |
| Relative PSA | 0.138 |
| PolarSurfaceArea | 61.77 |
| Druglikeness | 2.2769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-(3-chloro-4-fluorophenyl)-4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide | 2 - N-(3-chloro-4-fluorophenyl)-4-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide