Adamantane-1-carboxylic acid (6-methanesulfonyl-benzothiazol-2-yl)-amide
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Basic information
- Standard SMILES
CS(=O)(=O)c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1- InChIKey
AIROLYFGTUDHSL-UHFFFAOYSA-N- Molecular formula
- C19H22N2O3S2
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- Adamantane-1-carboxylic acid (6-methanesulfonyl-benzothiazol-2-yl)-amide
- IUPAC
- N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Names & synonyms
SCHEMBL963747AIROLYFGTUDHSL-UHFFFAOYSA-NAKOS003859432AB00993093-01Z28180011Adamantane-1-carboxylic acid (6-methanesulfonyl-benzothiazol-2-yl)-amide
Database identifiers
- PubChem CID
- 5000635
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 661
Related reactions
5 records
Compound notes
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