2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
Formula:C19H16N3O2BrS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C19H16N3O2BrS2 |
| Smiles | O=C(CSCc(cc1)ccc1Br)N/N=C\c(o1)ccc1Sc1ncccc1 |
| InChI | InChI=1S/C19H16BrN3O2S2/c20-15-6-4-14(5-7-15)12-26-13-17(24)23-22-11-16-8-9-19(25-16)27-18-3-1-2-10-21-18/h1-11H,12-13H2,(H,23,24) |
| InChIK | KVCXEEWJWQMSRM-UHFFFAOYSA-N |
| TotalMolweight | 462.391 |
| Molweight | 462.391 |
| MonoisotopicMass | 460.986728 |
| CLogP | 4.3201 |
| CLogS | -5.54 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.33 |
| Relative PSA | 0.3037 |
| PolarSurfaceArea | 118.09 |
| Druglikeness | 4.95 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide | 2 - 2-[(4-bromophenyl)methylsulfanyl]-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
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