3-bromo-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide
Formula:C21H14N3O2BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-bromo-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C21H14N3O2BrS |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c(o1)ccc1Sc1cccc2cccnc12 |
| InChI | InChI=1S/C21H14BrN3O2S/c22-16-7-1-5-15(12-16)21(26)25-24-13-17-9-10-19(27-17)28-18-8-2-4-14-6-3-11-23-20(14)18/h1-13H,(H,25,26) |
| InChIK | WQBSBCRSXYGLSJ-UHFFFAOYSA-N |
| TotalMolweight | 452.331 |
| Molweight | 452.331 |
| MonoisotopicMass | 450.999008 |
| CLogP | 5.35 |
| CLogS | -6.492 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.92 |
| Relative PSA | 0.25686 |
| PolarSurfaceArea | 92.79 |
| Druglikeness | 4.8953 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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