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Basic information
- Standard SMILES
COC(=O)c1cc(-c2cnn3cc(OC(F)F)cnc23)c(C)s1- InChIKey
VLABAHPURLXJKY-UHFFFAOYSA-N- Molecular formula
- C14H11F2N3O3S
- Average molar mass
- 339.32 g/mol
- Monoisotopic mass
- 339.04891872
Names & identifiers
- Preferred name
- Methyl-4-[6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylthiophene-2-carboxylate
- IUPAC
- methyl 4-[6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylthiophene-2-carboxylate
Names & synonyms
Methyl-4-[6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylthiophene-2-carboxylateSCHEMBL12517411
Database identifiers
- PubChem CID
- 68304950
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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