2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Completing data — refresh the page later to see the latest
Basic information
- CAS
338751-48-7- Standard SMILES
CC(Oc1ccc(Cl)cc1Cl)c1ccnc2nc(SCc3c(F)cccc3Cl)nn12- InChIKey
PTNVLEQBZBAELP-UHFFFAOYSA-N- Molecular formula
- C20H14Cl3FN4OS
- Average molar mass
- 483.8 g/mol
- Monoisotopic mass
- 481.993794
Names & identifiers
- Preferred name
- 2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 1-(2-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL)ETHYL 2,4-DICHLOROPHENYL ETHER
- Molecular formula
- C20H14Cl3FN4OS
- Molecular weight
- 483.77
Names & synonyms
338751-48-72-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidineDTXSID401110216AKOS0050919082-[(2-chloro-6-fluorobenzyl)sulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine5D-0082-((2-Chloro-6-fluorobenzyl)thio)-7-(1-(2,4-dichlorophenoxy)ethyl)-[1,2,4]triazolo[1,5-a]pyrimidine2-[[(2-Chloro-6-fluorophenyl)methyl]thio]-7-[1-(2,4-dichlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine1-(2-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL)ETHYL 2,4-DICHLOROPHENYL ETHER[1,2,4]Triazolo[1,5-a]pyrimidine, 2-[[(2-chloro-6-fluorophenyl)methyl]thio]-7-[1-(2,4-dichlorophenoxy)ethyl]-
Database identifiers
- CAS
338751-48-7- PubChem CID
- 3346747
- DTXSID
DTXSID401110216
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…