N-(4-bromophenyl)-4-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide
Formula:C28H19N4O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-4-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide is not a drug-like molecule.
| MolName | N-(4-bromophenyl)-4-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzamide |
| MolecularFormula | C28H19N4O2Br |
| Smiles | O=C(c(cc1)ccc1N(C1=O)C(c2ccccc2)=N/C1=C\c1ncccc1)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C28H19BrN4O2/c29-21-11-13-22(14-12-21)31-27(34)20-9-15-24(16-10-20)33-26(19-6-2-1-3-7-19)32-25(28(33)35)18-23-8-4-5-17-30-23/h1-18H,(H,31,34) |
| InChIK | ZVKZQFQEENMXPI-UHFFFAOYSA-N |
| TotalMolweight | 523.389 |
| Molweight | 523.389 |
| MonoisotopicMass | 522.069137 |
| CLogP | 5.1222 |
| CLogS | -6.841 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 361.37 |
| Relative PSA | 0.17591 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 1.7782 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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