2-naphthalen-1-yl-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
Formula:C26H19N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C26H19N3O2S |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(o1)ccc1Sc1cccc2cccnc12 |
| InChI | InChI=1S/C26H19N3O2S/c30-24(16-20-9-3-7-18-6-1-2-11-22(18)20)29-28-17-21-13-14-25(31-21)32-23-12-4-8-19-10-5-15-27-26(19)23/h1-15,17H,16H2,(H,29,30) |
| InChIK | QFLYNZHDPSNOJV-UHFFFAOYSA-N |
| TotalMolweight | 437.522 |
| Molweight | 437.522 |
| MonoisotopicMass | 437.119797 |
| CLogP | 5.8173 |
| CLogS | -7.229 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.65 |
| Relative PSA | 0.23411 |
| PolarSurfaceArea | 92.79 |
| Druglikeness | 6.6875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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