AC1NZC3L

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

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

Molecular Formula	C27H25N5O2S
Molecular Weight	483.17288 g/mol
LogP	5.35471
Topological Polar Surface Area	83.04 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	483.17288
Monoisotopic Mass	483.17288
Heavy Atoms	35
Complexity	1401.3282

Chemical Identifiers

CAS Number	445456-70-2
SMILES	CCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)COC5=CC=CC=C5)C