Basic information
- Standard SMILES
COc1ccc(CN2CC(CCOS(=O)(=O)c3ccc(C)cc3)N(C)C2=O)cc1- InChIKey
YIGGLLFPOIHCPI-UHFFFAOYSA-N- Molecular formula
- C21H26N2O5S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.15624311
Names & identifiers
- Preferred name
- Toluene-4-sulfonic acid 2-[1-(4-methoxy-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethyl ester
- IUPAC
- 2-[1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxoimidazolidin-4-yl]ethyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL3988359YIGGLLFPOIHCPI-UHFFFAOYSA-Ntoluene-4-sulfonic acid 2-[1-(4-methoxy- benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethyl esterToluene-4-sulfonic acid 2-[1-(4-methoxy-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethyl ester
Database identifiers
- PubChem CID
- 57719164
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 634
Related reactions
13 records
Compound notes
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