AC1MQW45 structure

AC1MQW45

1-benzyl-3-(4-nitrophenyl)-5-propan-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione

Also Known As: 1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione|F1709-0018|1-benzyl-3-(4-nitrophenyl)-5-(propan-2-yl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione|1-benzyl-3-(4-nitrophenyl)-5-propan-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione|1-benzyl-5-isopropyl-3-(4-nitrophenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(2H,5H)-dione|6-benzyl-8-(4-nitrophenyl)-3-propan-2-yl-3,6,7-triazabicyclo[3.3.0]octane-2,4-dione|2-(methylethyl)-6-(4-nitrophenyl)-4-benzyl-2,4,5,6,3a,6a-hexahydro-2,4,5-triaz apentalene-1,3-dione

CAS: 1005040-07-2
Molecular Formula C21H22N4O4
Molecular Weight 394.1641 g/mol
LogP 2.4183
Topological Polar Surface Area 95.79 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 394.1641
Monoisotopic Mass 394.1641
Heavy Atoms 29
Complexity 944.91327

Chemical Identifiers

CAS Number 1005040-07-2
SMILES CC(C)N1C(=O)C2C(NN(C2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Product Overview

AC1MQW45 (CAS 1005040-07-2), with molecular formula C21H22N4O4 and molecular weight 394.1641 g/mol. IUPAC: 1-benzyl-3-(4-nitrophenyl)-5-propan-2-yl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione.

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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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