HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile
Identifiers & Physical Properties
| CAS No. | 299198-63-3 |
|---|---|
| Molecular formula | C16H14FN3S |
| Average molar mass | 299.4 g/mol |
| Monoisotopic mass | 299.08924679 g/mol |
| SMILES | CN1CCc2[nH]c(=S)c(C#N)c(-c3ccc(F)cc3)c2C1 |
| InChIKey | KZBPZFRZMCHSLA-UHFFFAOYSA-N |
| PubChem CID | 753572 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 71.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 576 |