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Basic information
- Standard SMILES
CSc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n[nH]c(=O)n12- InChIKey
CIDPLHQQIKZINY-UHFFFAOYSA-N- Molecular formula
- C18H13ClN4OS
- Average molar mass
- 368.8 g/mol
- Monoisotopic mass
- 368.0498599
Names & identifiers
- Preferred name
- 7-(4-chlorophenyl)-5-(methylthio)-8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
- IUPAC
- 7-(4-chlorophenyl)-5-methylsulfanyl-8-phenyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Names & synonyms
SCHEMBL4832235CIDPLHQQIKZINY-UHFFFAOYSA-N7-(4-chlorophenyl)-5-(methylthio)-8-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Database identifiers
- PubChem CID
- 58772833
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 645
Related reactions
5 records
Compound notes
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