AC1O1NVH

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

Also Known As: (E)-6-((1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-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	C25H29N5O3S
Molecular Weight	479.1991 g/mol
LogP	5.16671
Topological Polar Surface Area	92.27 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	479.1991
Monoisotopic Mass	479.1991
Heavy Atoms	34
Complexity	1253.4827

Chemical Identifiers

CAS Number	845652-04-2
SMILES	CCC(CC)C1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=C(C=CC(=C4)OC)OC)C)/C(=O)N=C2S1