2-amino-6-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
Formula:C18H11N4FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-6-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile is a drug-like molecule.
| MolName | 2-amino-6-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile |
| MolecularFormula | C18H11N4FS2 |
| Smiles | Nc(nc(c(C#N)c1-c2cccs2)SCc(cc2)ccc2F)c1C#N |
| InChI | InChI=1S/C18H11FN4S2/c19-12-5-3-11(4-6-12)10-25-18-14(9-21)16(15-2-1-7-24-15)13(8-20)17(22)23-18/h1-7H,10H2,(H2,22,23) |
| InChIK | DJVHHOOYRQWMDO-UHFFFAOYSA-N |
| TotalMolweight | 366.443 |
| Molweight | 366.443 |
| MonoisotopicMass | 366.040914 |
| CLogP | 3.8463 |
| CLogS | -7.481 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 277.02 |
| Relative PSA | 0.32925 |
| PolarSurfaceArea | 140.03 |
| Druglikeness | -4.067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-amino-6-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile | 2 - 2-amino-6-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
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