Basic information
- Standard SMILES
O=S1(=O)CCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)[nH]2)c(O)c2ncccc12- InChIKey
CAWTUZMSASDZAZ-UHFFFAOYSA-N- Molecular formula
- C21H19FN6O3S
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.12233782
Names & identifiers
- Preferred name
- 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
- IUPAC
- 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
Names & synonyms
SCHEMBL968040CHEMBL452588BDBM28238CAWTUZMSASDZAZ-UHFFFAOYSA-NC5-sultam substituted naphthyridine, 272-(7-{5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl}-8-hydroxy-1,6-naphthyridin-5-yl)-1$l^{6},2-thiazinane-1,1-dione5-(1,1-Dioxido-1,2-thiazinan-2-yl)-7-[5-(4-fluorobenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
Database identifiers
- PubChem CID
- 135448260
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 746
Related reactions
1 records
Compound notes
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