Basic information
- Standard SMILES
CN1Cc2cc(O)ccc2C(c2ccc3sccc3c2)C1- InChIKey
ZDZGDSLKDOSHHZ-UHFFFAOYSA-N- Molecular formula
- C18H17NOS
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.10308534
Names & identifiers
- Preferred name
- (-)-4-Benzo[b]thiophen-5-yl-2-methyl-1,2,3,4-tetrahydroisoquinoline-7-ol
- IUPAC
- 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Names & synonyms
CHEMBL3323175SCHEMBL4310449ZDZGDSLKDOSHHZ-UHFFFAOYSA-NBDBM50054530(-)-4-benzo[b]thiophen-5-yl-2-methyl-1,2,3,4-tetrahydroisoquinoline-7-ol
Database identifiers
- PubChem CID
- 68997664
- ChEMBL
CHEMBL3323175
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
6 records
Compound notes
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