Basic information
- Standard SMILES
Cl.O=C(NC1C2CC3CC1CN(C3)C2)c1csc2ccccc12- InChIKey
YKWVVJBUUNDRLG-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2OS
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.1063122
Names & identifiers
- Preferred name
- Benzo[b]thiophene-3-carboxylic acid (4r)-(1-azatricyclo[3.3.1.13,7]dec-4-yl)-amide hydrochloride
- IUPAC
- N-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-1-benzothiophene-3-carboxamide;hydrochloride
Names & synonyms
SCHEMBL1761629YKWVVJBUUNDRLG-ORVAKVHHSA-NBenzo[b]thiophene-3-carboxylic acid (4r)-(1-azatricyclo[3.3.1.13,7]dec-4-yl)-amide hydrochlorideBenzo[b]thiophene-3-carboxylic acid (4s)-(1-azatricyclo[3.3.1.13,7]dec-4-yl)-amide hydrochlorideBenzo[b]thiophene-3-carboxylic acid(4r)-(1-azatricyclo[3.3.1.13,7]dec-4-yl)-amide hydrochlorideBenzo[b]thiophene-3-carboxylic acid(4s)-(1-azatricyclo[3.3.1.13,7]dec-4-yl)-amide hydrochloride
Database identifiers
- PubChem CID
- 67152137
Properties
Computed structural properties
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
4 records
Compound notes
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