4,4,5,8-Tetramethyl-6-(1-ethyl-5-ethanesulfonyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide

HCID 15477358
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(C)(C)CCS3(=O)=O)c1OS(=O)(=O)CC
InChIKey
TUACEMPBLJFASW-UHFFFAOYSA-N
Molecular formula
C21H28N2O6S2
Average molar mass
468.6 g/mol

Names & identifiers

Preferred name
4,4,5,8-Tetramethyl-6-(1-ethyl-5-ethanesulfonyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide
IUPAC
[1-ethyl-4-(4,4,5,8-tetramethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)pyrazol-5-yl] ethanesulfonate

Names & synonyms

SCHEMBL8462974TUACEMPBLJFASW-UHFFFAOYSA-N4,4,5,8-tetramethyl-6-(1-ethyl-5-ethanesulfonyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide

Database identifiers

PubChem CID
15477358

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
129 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

Loading…