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

HCID 54295837
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Basic information

Standard SMILES
CCn1ncc(C(=O)c2ccc3c(c2C)C(OC)CCS3(=O)=O)c1OCC(C)=O
InChIKey
SASQVYVGLRKUTH-UHFFFAOYSA-N
Molecular formula
C20H24N2O6S
Average molar mass
420.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL9039136SASQVYVGLRKUTH-UHFFFAOYSA-N4-methoxy-5-methyl-6-(5-acetylmethyloxy-1-ethylpyrazol-4-yl) carbonylthiochroman-1, 1-dioxide4-methoxy-5-methyl-6-(5-acetylmethyloxy-1-ethylpyrazol-4-yl) carbonylthiochroman-1,1-dioxide

Database identifiers

PubChem CID
54295837

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
29

Related reactions

2 records
New reaction record

Linked notes

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