AC1MQEI0 structure

AC1MQEI0

N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Also Known As: Oprea1_284071|F0541-0091|SR-01000569963-1|N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide|N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide|N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide|3-tert-butyl-4-[3-(o-chlorophenyl)-5-methyl-4-isoxazolylcarbonylamino]-7-oxo-7lambda-thia-2,3-diazabicyclo[3.3.0]octa-1,4-dien-7-ium-7-olate

CAS: 449784-87-6
Molecular Formula C20H21ClN4O4S
Molecular Weight 448.0972 g/mol
LogP 3.93562
Topological Polar Surface Area 107.09 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 448.0972
Monoisotopic Mass 448.0972
Heavy Atoms 30
Complexity 1268.45

Chemical Identifiers

CAS Number 449784-87-6
SMILES CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3=C4CS(=O)(=O)CC4=NN3C(C)(C)C

Product Overview

AC1MQEI0 (CAS 449784-87-6), with molecular formula C20H21ClN4O4S and molecular weight 448.0972 g/mol. IUPAC: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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