Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4)no2)cc1Cl.Cl- InChIKey
SRKLFMAAJKRTEX-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2N3O2
- Average molar mass
- 406.3 g/mol
Names & identifiers
- Preferred name
- 5-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
- IUPAC
- 5-(3-chloro-4-propan-2-yloxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole;hydrochloride
Names & synonyms
SCHEMBL3064884SRKLFMAAJKRTEX-UHFFFAOYSA-N5-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- PubChem CID
- 68499025
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 466
Related reactions
2 records
Compound notes
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