AC1O1ZX6

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

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

Molecular Formula	C26H31N5OS
Molecular Weight	461.22495 g/mol
LogP	6.24611
Topological Polar Surface Area	73.81 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	461.22495
Monoisotopic Mass	461.22495
Heavy Atoms	33
Complexity	1187.2843

Chemical Identifiers

CAS Number	877795-40-9
SMILES	CCCCCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC=C4CC)C)/C(=O)N=C2S1