N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C22H15N3O3BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C22H15N3O3BrClS |
| Smiles | O=C(COc1cccc2cccnc12)N/N=C\c(o1)cc(Br)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H15BrClN3O3S/c23-18-11-16(30-22(18)31-17-8-6-15(24)7-9-17)12-26-27-20(28)13-29-19-5-1-3-14-4-2-10-25-21(14)19/h1-12H,13H2,(H,27,28) |
| InChIK | QYXRQCQNFHXUHB-UHFFFAOYSA-N |
| TotalMolweight | 516.802 |
| Molweight | 516.802 |
| MonoisotopicMass | 514.9706 |
| CLogP | 5.5309 |
| CLogS | -7.008 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 345.1 |
| Relative PSA | 0.25668 |
| PolarSurfaceArea | 102.02 |
| Druglikeness | -0.61238 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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