MLS000588584

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

Also Known As: (6E)-6-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((2,5-dimethyl-1-(m-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|6-[1-(2,5-Dimethyl-1-m-tolyl-1H-pyrrol-3-yl)-meth-(E)-ylidene]-2-(1-ethyl-propyl)-5-imino-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-5-azanylidene-6-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-[[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-[[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methylene]-2-(1-ethylpropyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Molecular Formula	C24H27N5OS
Molecular Weight	433.19363 g/mol
LogP	5.45793
Topological Polar Surface Area	73.81 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	433.19363
Monoisotopic Mass	433.19363
Heavy Atoms	31
Complexity	1166.6274

Chemical Identifiers

CAS Number	1164554-35-1
SMILES	CCC(CC)C1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC(=C4)C)C)/C(=O)N=C2S1