4-bromo-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzenesulfonamide
Formula:C21H15N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzenesulfonamide |
| MolecularFormula | C21H15N4O3BrS |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2ncccc2)N1NS(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C21H15BrN4O3S/c22-16-9-11-18(12-10-16)30(28,29)25-26-20(15-6-2-1-3-7-15)24-19(21(26)27)14-17-8-4-5-13-23-17/h1-14,25H |
| InChIK | XWMPCLFZCVCPSR-UHFFFAOYSA-N |
| TotalMolweight | 483.345 |
| Molweight | 483.345 |
| MonoisotopicMass | 482.004822 |
| CLogP | 1.6291 |
| CLogS | -3.225 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.44 |
| Relative PSA | 0.2532 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 3.4108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-bromo-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzenesulfonamide | 2 - 4-bromo-N-[(4Z)-5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]benzenesulfonamide
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