Basic information
- Standard SMILES
COC(=O)CC(=O)Nc1ccc(SC)cc1F- InChIKey
VTQMCPHJVGNXMQ-UHFFFAOYSA-N- Molecular formula
- C11H12FNO3S
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.05219258
Names & identifiers
- Preferred name
- N-(2-Fluoro-4-methylsulfanyl-phenyl)-malonamic acid methyl ester
- IUPAC
- methyl 3-(2-fluoro-4-methylsulfanylanilino)-3-oxopropanoate
Names & synonyms
SCHEMBL1976947VTQMCPHJVGNXMQ-UHFFFAOYSA-NN-(2-Fluoro-4-methylsulfanyl-phenyl)-malonamic acid methyl ester
Database identifiers
- PubChem CID
- 67234589
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Compound notes
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