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Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N2CCCCCC2(CO)C(=O)OC(C)(C)C)cc1- InChIKey
ZWIYBFSFBPUCHB-UHFFFAOYSA-N- Molecular formula
- C19H29NO6S
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- Hydroxymethyl-1-(4-methoxy-benzene sulfonyl)-azepane-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-(hydroxymethyl)-1-(4-methoxyphenyl)sulfonylazepane-2-carboxylate
Names & synonyms
SCHEMBL7393672ZWIYBFSFBPUCHB-UHFFFAOYSA-NHydroxymethyl-1-(4-methoxy-benzene sulfonyl)-azepane-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 54569686
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 601
Related reactions
1 records
Compound notes
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