4-bromo-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
Formula:C20H14N3O4BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-bromo-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide |
| MolecularFormula | C20H14N3O4BrS |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2ccco2)N1NS(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C20H14BrN3O4S/c21-15-8-10-17(11-9-15)29(26,27)23-24-19(14-5-2-1-3-6-14)22-18(20(24)25)13-16-7-4-12-28-16/h1-13,23H |
| InChIK | OINIJAPCCMIRCF-UHFFFAOYSA-N |
| TotalMolweight | 472.318 |
| Molweight | 472.318 |
| MonoisotopicMass | 470.988838 |
| CLogP | 1.7647 |
| CLogS | -3.678 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.37 |
| Relative PSA | 0.27112 |
| PolarSurfaceArea | 100.36 |
| Druglikeness | 3.1488 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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