4-bromo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H14N3O4BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H14N3O4BrS |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2Br)=O)o1)(=O)=O |
| InChI | InChI=1S/C18H14BrN3O4S/c19-14-5-1-13(2-6-14)18(23)22-21-11-15-7-10-17(26-15)12-3-8-16(9-4-12)27(20,24)25/h1-11H,(H,22,23)(H2,20,24,25) |
| InChIK | OJDDJPFXFWRRGU-UHFFFAOYSA-N |
| TotalMolweight | 448.296 |
| Molweight | 448.296 |
| MonoisotopicMass | 446.988838 |
| CLogP | 3.6297 |
| CLogS | -5.914 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 292.17 |
| Relative PSA | 0.32163 |
| PolarSurfaceArea | 123.14 |
| Druglikeness | 4.5247 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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