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Basic information
- Standard SMILES
NC1CSCCN(Cc2ccc(F)c(F)c2)C1=O- InChIKey
VAQWGJYIQVXIBH-UHFFFAOYSA-N- Molecular formula
- C12H14F2N2OS
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.07949057
Names & identifiers
- Preferred name
- 6-Amino-4-[(3,4-difluorophenyl)methyl]-1,4-thiazepan-5-one
- IUPAC
- 6-amino-4-[(3,4-difluorophenyl)methyl]-1,4-thiazepan-5-one
Names & synonyms
SCHEMBL5310594
Database identifiers
- PubChem CID
- 57722262
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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