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Basic information
- Standard SMILES
O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3cccs3)c2s1.O=CO- InChIKey
AVUYWYZCWRSDBY-NTISSMGPSA-N- Molecular formula
- C21H22N2O3S2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.10718492
Names & identifiers
- Preferred name
- N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-(2-thienyl)-1-benzothiophene-2-carboxamide formate
- IUPAC
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-thiophen-2-yl-1-benzothiophene-2-carboxamide;formic acid
Names & synonyms
SCHEMBL2197251AVUYWYZCWRSDBY-NTISSMGPSA-NN-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-(2-thienyl)-1-benzothiophene-2-carboxamide formate
Database identifiers
- PubChem CID
- 67313664
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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