Basic information
- Standard SMILES
CCCCOc1ccc(CN2CCSCC(N)C2=O)cc1- InChIKey
RWGSZNXPWONTCO-UHFFFAOYSA-N- Molecular formula
- C16H24N2O2S
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- 6-Amino-4-[(4-butoxyphenyl)methyl]-1,4-thiazepan-5-one
- IUPAC
- 6-amino-4-[(4-butoxyphenyl)methyl]-1,4-thiazepan-5-one
Names & synonyms
SCHEMBL5217735
Database identifiers
- PubChem CID
- 57722258
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
1 records
Compound notes
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