2-naphthalen-1-ylsulfanyl-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]acetamide
Formula:C23H18N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-ylsulfanyl-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-naphthalen-1-ylsulfanyl-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C23H18N2O2S |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c1ccc(-c2ccccc2)o1 |
| InChI | InChI=1S/C23H18N2O2S/c26-23(16-28-22-12-6-10-17-7-4-5-11-20(17)22)25-24-15-19-13-14-21(27-19)18-8-2-1-3-9-18/h1-15H,16H2,(H,25,26) |
| InChIK | KWJIPGRYMQGKLL-UHFFFAOYSA-N |
| TotalMolweight | 386.474 |
| Molweight | 386.474 |
| MonoisotopicMass | 386.108898 |
| CLogP | 5.5477 |
| CLogS | -7.329 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 302.29 |
| Relative PSA | 0.22366 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | 6.8233 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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