N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-[({[4-methoxy-3-(trifluoromethyl)phenyl]-amino}carbonyl)amino]-1-benzothiophene-2-carboxamide hydrochloride
Basic information
- Standard SMILES
COc1ccc(NC(=O)Nc2ccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc3c2)cc1C(F)(F)F.Cl- InChIKey
AWNYWAUQNBMQPO-FYZYNONXSA-N- Molecular formula
- C25H26ClF3N4O3S
- Average molar mass
- 555 g/mol
- Monoisotopic mass
- 554.1366241
Names & identifiers
- Preferred name
- N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-[({[4-methoxy-3-(trifluoromethyl)phenyl]-amino}carbonyl)amino]-1-benzothiophene-2-carboxamide hydrochloride
- IUPAC
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoylamino]-1-benzothiophene-2-carboxamide;hydrochloride
Names & synonyms
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-[({[4-methoxy-3-(trifluoromethyl)phenyl]-amino}carbonyl)amino]-1-benzothiophene-2-carboxamide hydrochlorideSCHEMBL1090402
Database identifiers
- PubChem CID
- 66904136
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 810
Related reactions
3 records
Compound notes
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