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Chemical structure of ATB-346

GC18133

ATB-346

Also known as (4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate

ATB-346 (ATB-346), an orally active non-steroidal anti-inflammatory drug (NSAID), inhibits cyclooxygenase-1 and 2 (COX-1 and 2)

ChemicalCAS1226895-20-0MW365.45FormulaC21H19NO3S
CAS number
1226895-20-0
Molecular weight
365.45
Formula
C21H19NO3S
Solubility
≥ 18·27mg/mL in DMSO
InChIKey
YCNMAPLPQYQJFC-UHFFFAOYSA-N
Catalogue number
GC18133
Brand
GLPBIO
Computed properties PubChem CID 25065981 · XLogP 4.2 · TPSA 93.6 Ų · H-bond donors 1
XLogP
4.2
TPSA
93.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

SMILES CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OC3=CC=C(C=C3)C(=S)N

Computed descriptors from PubChem (CID 25065981), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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