AC1NZ74C

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

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

Molecular Formula	C27H27N5OS
Molecular Weight	469.19363 g/mol
LogP	6.05339
Topological Polar Surface Area	73.81 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	469.19363
Monoisotopic Mass	469.19363
Heavy Atoms	34
Complexity	1393.0212

Chemical Identifiers

CAS Number	877796-85-5
SMILES	CCC(CC)C1=NN2C(=N)/C(=C\C3=CN(C4=CC=CC=C43)CC5=CC=CC(=C5)C)/C(=O)N=C2S1