Brn 4272468
Basic information
- CAS
126335-07-7- Standard SMILES
COC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1SC(F)F- InChIKey
KSIWOIJHKKUYNI-UHFFFAOYSA-N- Molecular formula
- C17H15F2NO4S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.06898546
Names & identifiers
- Preferred name
- Brn 4272468
- IUPAC
- methyl 4-[2-(difluoromethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
Names & synonyms
BRN 4272468126335-07-7Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-4-(2-((difluoromethyl)thio)phenyl)-2-methyl-5-oxo-, methyl esterRefChem:330220DTXSID00925507Methyl 4-{2-[(difluoromethyl)sulfanyl]phenyl}-2-methyl-5-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylate
Database identifiers
- CAS
126335-07-7- PubChem CID
- 3079720
- DTXSID
DTXSID00925507
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 647
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Compound notes
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