Toluene-4-sulfonic acid 2-[1-(3,4-dimethyl-benzyl)-3-(4-methoxy-benzyl)-2-oxo-imidazolidin-4-yl]-ethyl ester

HCID 57719167
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Basic information

Standard SMILES
COc1ccc(CN2C(=O)N(Cc3ccc(C)c(C)c3)CC2CCOS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
GVIRNKLWYIPPAR-UHFFFAOYSA-N
Molecular formula
C29H34N2O5S
Average molar mass
522.7 g/mol

Names & identifiers

Preferred name
Toluene-4-sulfonic acid 2-[1-(3,4-dimethyl-benzyl)-3-(4-methoxy-benzyl)-2-oxo-imidazolidin-4-yl]-ethyl ester
IUPAC
2-[1-[(3,4-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-4-yl]ethyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL3987303GVIRNKLWYIPPAR-UHFFFAOYSA-Ntoluene-4-sulfonic acid 2-[1-(3,4-dimethyl- benzyl)-3-(4-methoxy-benzyl)-2-oxo-imidazolidin-4-yl]-ethyl estertoluene-4-sulfonic acid 2-[1-(3,4-dimethyl-benzyl)-3-(4-methoxy-benzyl)-2-oxo-imidazolidin-4-yl]-ethyl ester

Database identifiers

PubChem CID
57719167

Properties

Computed structural properties

XLogP
5
Topological polar surface area
84.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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