AC1NN77V

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide

Also Known As: A2038/0085643|1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide|1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-({3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide

Molecular Formula	C24H19BrN12O7
Molecular Weight	666.0683 g/mol
LogP	2.80412
Topological Polar Surface Area	250.44 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	14
Rotatable Bonds	10
Exact Mass	666.0683
Monoisotopic Mass	666.0683
Heavy Atoms	44
Complexity	1929.8661

Chemical Identifiers

CAS Number	5750-67-4
SMILES	CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+](=O)[O-])Br