AC1MFIOD structure

AC1MFIOD

4-(4-bromophenyl)-7-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione

Also Known As: CBMicro_032245|MixCom6_001909|Oprea1_812973|BIM-0032065.P001|A3562/0151103|2-(4-bromophenyl)-9-(3-nitrophenyl)hexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione|2-(4-bromophenyl)-9-(3-nitrophenyl)tetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione|2-(4-bromophenyl)-9-(3-nitrophenyl)perhydro-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3-dione

CAS: 473575-06-3
Molecular Formula C20H17BrN4O4
Molecular Weight 456.04333 g/mol
LogP 2.8929
Topological Polar Surface Area 87.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 456.04333
Monoisotopic Mass 456.04333
Heavy Atoms 29
Complexity 1027.3962

Chemical Identifiers

CAS Number 473575-06-3
SMILES C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5=CC(=CC=C5)[N+](=O)[O-]

Product Overview

AC1MFIOD (CAS 473575-06-3), with molecular formula C20H17BrN4O4 and molecular weight 456.04333 g/mol. IUPAC: 4-(4-bromophenyl)-7-(3-nitrophenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.

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