Basic information
- Standard SMILES
CC(C)COC(=O)Nc1ccc(C2(O)CCSCC2)c(F)c1- InChIKey
NGLNAWJEGNSZPA-UHFFFAOYSA-N- Molecular formula
- C16H22FNO3S
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- 2-methylpropyl [3-fluoro-4-(tetrahydro-4-hydroxy-2H-thiopyran-4-yl)phenyl]carbamate
- IUPAC
- 2-methylpropyl N-[3-fluoro-4-(4-hydroxythian-4-yl)phenyl]carbamate
Names & synonyms
SCHEMBL6614861NGLNAWJEGNSZPA-UHFFFAOYSA-N2-methylpropyl [3-fluoro-4-(tetrahydro-4-hydroxy-2H-thiopyran-4-yl)phenyl]carbamate2-methylpropyl[3-fluoro-4-(tetrahydro-4-hydroxy-2h-thiopyran-4-yl)phenyl]carbamate
Database identifiers
- PubChem CID
- 9840360
- Nikkaji
- J1.337.928I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
8 records
Compound notes
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