Methyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate

HCID 46189879

Basic information

Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)N1CCC(N2N=C(c3ccc(OC)c(OC)c3)C(C)(C)C2=O)CC1
InChIKey
ZYHGWTRFQOGZCQ-UHFFFAOYSA-N
Molecular formula
C26H31N3O7S
Average molar mass
529.6 g/mol

Names & identifiers

Preferred name
Methyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate
IUPAC
methyl 2-[4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxopyrazol-1-yl]piperidin-1-yl]sulfonylbenzoate

Names & synonyms

SCHEMBL2322154ZYHGWTRFQOGZCQ-UHFFFAOYSA-NMethyl 2-({4-[3-(3,4-dimethoxyphenyl)-4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]piperidin-1-yl}sulfonyl)benzoate

Database identifiers

PubChem CID
46189879

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
123 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

Related reactions

3 records

Linked notes

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