AC1O37SA

(6E)-6-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-heptyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

Molecular Formula	C27H33N5OS
Molecular Weight	475.24057 g/mol
LogP	6.69065
Topological Polar Surface Area	73.81 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	475.24057
Monoisotopic Mass	475.24057
Heavy Atoms	34
Complexity	1233.8854

Chemical Identifiers

CAS Number	861122-03-4
SMILES	CCCCCCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=C(C=CC(=C4)C)C)C)/C(=O)N=C2S1