7-[[4-Methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
Basic information
- CAS
339009-60-8- Standard SMILES
Cn1c(Sc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)nnc1C(C)(C)n1cncn1- InChIKey
GITRHAFSFZFAQO-UHFFFAOYSA-N- Molecular formula
- C18H14F6N8S
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 488.09663263
Names & identifiers
- Preferred name
- 7-[[4-Methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
- IUPAC
- 7-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
- English name
- 1,8-Naphthyridine,7-[[4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl]thio]-2,4-bis(trifluoromethyl)-(9CI)
- Molecular formula
- C18H14F6N8S
- Molecular weight
- 488.4127792
Names & synonyms
339009-60-87-[[4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl]sulfanyl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine7-({4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine7-({4-methyl-5-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-triazol-3-yl}sulfanyl)-2,4-bis(trifluoromethyl)-1,8-naphthyridineDTXSID501103167AKOS0050992325,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl sulfideDB-2676737F-0491,8-NAPHTHYRIDINE, 7-[[4-METHYL-5-[1-METHYL-1-(1H-1,2,4-TRIAZOL-1-YL)ETHYL]-4H-1,2,4-TRIAZOL-3-YL]THIO]-2,4-BIS(TRIFLUOROMETHYL)-7-((5-(2-(1H-1,2,4-triazol-1-yl)propan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2,4-bis(trifluoromethyl)-1,8-naphthyridine7-[[4-Methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl]thio]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
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Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 694
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