AC1LUZ6Q

(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Also Known As: (E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(m-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula	C26H22N6O3S
Molecular Weight	498.1474 g/mol
LogP	5.28665
Topological Polar Surface Area	116.95 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	498.1474
Monoisotopic Mass	498.1474
Heavy Atoms	36
Complexity	1580.1799

Chemical Identifiers

CAS Number	713085-23-5
SMILES	CC1=CC(=CC=C1)C2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=C(C=CC(=C5)[N+](=O)[O-])C)C)/C(=O)N=C3S2