Basic information
- Standard SMILES
CCCc1nc(C)n2nc(S(=O)(=O)N(C)C)nc2c1Cc1ccc(-c2ccccc2C#N)cc1- InChIKey
PBPRAQPLVOXZIX-UHFFFAOYSA-N- Molecular formula
- C25H26N6O2S
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- N,N-dimethyl-{7-n-propyl-5-methyl-8-[(2'-cyano-4-biphenylyl)methyl]-1,2,4-triazolo[1,5-c]pyrimidin-2-yl}sulphonamide
- IUPAC
- 8-[[4-(2-cyanophenyl)phenyl]methyl]-N,N,5-trimethyl-7-propyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Names & synonyms
SCHEMBL9308612PBPRAQPLVOXZIX-UHFFFAOYSA-NN,N-dimethyl-{7-n-propyl-5-methyl-8-[(2'-cyano-4-biphenylyl)methyl]-1,2,4-triazolo[1,5-c]pyrimidin-2-yl}sulphonamide
Database identifiers
- PubChem CID
- 10344843
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 828
Related reactions
2 records
Compound notes
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