4-Methoxy-5-methyl-6-(5-cyclohexylcarbonyloxy-1-ethylpyrazol-4-yl)carbonylthiochroman-1,1-dioxide

HCID 19693776
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1ncc(C(=O)c2ccc3c(c2C)C(OC)CCS3(=O)=O)c1OC(=O)C1CCCCC1
InChIKey
JLLLNJMQMLRLTL-UHFFFAOYSA-N
Molecular formula
C24H30N2O6S
Average molar mass
474.6 g/mol

Names & identifiers

Preferred name
4-Methoxy-5-methyl-6-(5-cyclohexylcarbonyloxy-1-ethylpyrazol-4-yl)carbonylthiochroman-1,1-dioxide
IUPAC
[1-ethyl-4-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-5-yl] cyclohexanecarboxylate

Names & synonyms

SCHEMBL8461921JLLLNJMQMLRLTL-UHFFFAOYSA-N4-methoxy-5-methyl-6-(5-cyclohexylcarbonyloxy-1-ethylpyrazol-4-yl)carbonylthiochroman-1,1-dioxide

Database identifiers

PubChem CID
19693776

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

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