Basic information
- Standard SMILES
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(C2CC(OC(C)C(=O)OCC)C2)c2nc(C)nn12- InChIKey
OOSKZTUFGHFFJQ-UHFFFAOYSA-N- Molecular formula
- C32H34FN5O4
- Average molar mass
- 571.6 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[(cis-3-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-2-methyl-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutyl)oxy]propanoate
- IUPAC
- ethyl 2-[3-[6-[[4-(2-cyanophenyl)-2-fluorophenyl]methyl]-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]cyclobutyl]oxypropanoate
Names & synonyms
SCHEMBL1371815SCHEMBL1371816OOSKZTUFGHFFJQ-XSMHHHPYSA-Nethyl 2-[(cis-3-{6-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-2-methyl-5-oxo-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl}cyclobutyl)oxy]propanoate
Database identifiers
- PubChem CID
- 67009209
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
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