Basic information
- CAS
299198-63-3- Standard SMILES
CN1CCc2[nH]c(=S)c(C#N)c(-c3ccc(F)cc3)c2C1- InChIKey
KZBPZFRZMCHSLA-UHFFFAOYSA-N- Molecular formula
- C16H14FN3S
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.08924679
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
- IUPAC
- 4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
- English name
- 4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile
- Molecular formula
- C16H14FN3S
- Molecular weight
- 299.3658632
Names & synonyms
4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,5,6,7,8-hexahydro[1,6]naphthyridine-3-carbonitrile4-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrileSTK968133AKOS003793124ST006940AG-205/12759030AK-777/36505003SR-01000507273SR-01000507273-14-(4-fluorophenyl)-6-methyl-2-sulfanylidene-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile4-(4-fluorophenyl)-6-methyl-2-thioxo-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile4-(4-fluorophenyl)-6-methyl-2-thioxo-1,5,6,7,8-pentahydropyridino[3,2-c]pyridi ne-3-carbonitrile
Database identifiers
- CAS
299198-63-3- PubChem CID
- 753572
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 576
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…