CID7566237

1-[5-butanoyl-3-methyl-6-(3-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]butan-1-one

Also Known As: F2560-0259|1,1'-(3-methyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-5,7-diyl)bis(butan-1-one)|1-[5-butanoyl-3-methyl-6-(3-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]butan-1-one|1-[5-butyryl-3-methyl-6-(3-nitrophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]butan-1-one|1-[7-BUTANOYL-3-METHYL-6-(3-NITROPHENYL)-5H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-5-YL]BUTAN-1-ONE

Molecular Formula	C19H21N5O4S
Molecular Weight	415.13144 g/mol
LogP	3.60312
Topological Polar Surface Area	111.23 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	415.13144
Monoisotopic Mass	415.13144
Heavy Atoms	29
Complexity	1013.7785

Chemical Identifiers

CAS Number	903358-95-2
SMILES	CCCC(=O)C1=C(N(N2C(=NN=C2S1)C)C(=O)CCC)C3=CC(=CC=C3)[N+](=O)[O-]