Basic information
- Standard SMILES
COC(=O)c1ccc(CN2c3ccccc3CCC2C)c(OS(C)(=O)=O)c1- InChIKey
JLDSFVZZQPHXRK-UHFFFAOYSA-N- Molecular formula
- C20H23NO5S
- Average molar mass
- 389.5 g/mol
Names & identifiers
- Preferred name
- methyl 4-[(2-methyl-3,4-dihydroquinolin-1(2H)-yl)methyl]-3-[(methylsulfonyl)oxy]benzoate
- IUPAC
- methyl 4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-methylsulfonyloxybenzoate
Names & synonyms
SCHEMBL3629234JLDSFVZZQPHXRK-UHFFFAOYSA-Nmethyl 4-[(2-methyl-3,4-dihydroquinolin-1(2H)-yl)methyl]-3-[(methylsulfonyl)oxy]benzoate
Database identifiers
- PubChem CID
- 23157488
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 616
Related reactions
2 records
Compound notes
Loading…