Compound C29H47N3O6S

2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

CAS: 3968-15-8

Molecular Formula	`C29H47N3O6S`
Molecular Weight	565.8 g/mol
LogP	8.0
Topological Polar Surface Area	134.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	21
Exact Mass	565.31854
Heavy Atoms	39
Complexity	858.0

Chemical Identifiers

CAS Number	3968-15-8
SMILES	`CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OCC)S(=O)(=O)O`
InChIKey	`HFDAKMRRPSYKME-UHFFFAOYSA-N`

📖 Product Overview

Compound C29H47N3O6S (CAS: 3968-15-8) is a chemical compound with molecular formula C29H47N3O6S and molecular weight 565.8 g/mol. Its IUPAC systematic name is 2-ethoxy-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid. LogP 8.0 Topological Polar Surface Area 134.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 21 Exact Mass 565.31854 Heavy Atoms 39 Complexity 858.0 InChI Key: HFDAKMRRPSYKME-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OCC)S(=O)(=O)O.

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