Basic information
- Standard SMILES
CCCn1c(CCOS(=O)(=O)c2ccc(C)cc2)cn(Cc2ccc(C)cc2)c1=O- InChIKey
HFAWBLXGRCVXIG-UHFFFAOYSA-N- Molecular formula
- C23H28N2O4S
- Average molar mass
- 428.5 g/mol
Names & identifiers
- Preferred name
- toluene-4-sulfonic acid 2-[1-(4-methyl-benzyl)-2-oxo-3-propyl-2,3-dihydro-1H-imidazol-4-yl]-ethyl ester
- IUPAC
- 2-[1-[(4-methylphenyl)methyl]-2-oxo-3-propylimidazol-4-yl]ethyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL3987386HFAWBLXGRCVXIG-UHFFFAOYSA-Ntoluene-4-sulfonic acid 2-[1-(4-methyl- benzyl)-2-oxo-3-propyl-2,3-dihydro-1H-imidazol-4-yl]-ethyl estertoluene-4-sulfonic acid 2-[1-(4-methyl-benzyl)-2-oxo-3-propyl-2,3-dihydro-1H-imidazol-4-yl]-ethyl ester
Database identifiers
- PubChem CID
- 57719269
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 699
Related reactions
6 records
Compound notes
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