Basic information
- Standard SMILES
COc1cccc2c1CCN(C(=O)c1cc(S(C)(=O)=O)ccc1OC(C)C)C2- InChIKey
WGNMGZGVSBKAOA-UHFFFAOYSA-N- Molecular formula
- C21H25NO5S
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- (2-Isopropoxy-5-methanesulfonyl-phenyl)-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-methanone
- IUPAC
- (5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
Names & synonyms
SCHEMBL3872223WGNMGZGVSBKAOA-UHFFFAOYSA-N(2-Isopropoxy-5-methanesulfonyl-phenyl)-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-methanone
Database identifiers
- PubChem CID
- 58677889
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 644
Related reactions
2 records
Compound notes
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