Basic information
- Standard SMILES
COC(=O)c1[nH]c(=O)[nH]c1CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1- InChIKey
QYBUEHHMRAZUAN-UHFFFAOYSA-N- Molecular formula
- C23H21N3O6S
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.11510657
Names & identifiers
- Preferred name
- 5-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 5-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylmethyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
Names & synonyms
SCHEMBL5424071QYBUEHHMRAZUAN-UHFFFAOYSA-N5-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonylmethyl]-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 11202171
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 875
Related reactions
2 records
Compound notes
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