AC1NZA92

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

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

Molecular Formula	C21H20FN5OS
Molecular Weight	409.13727 g/mol
LogP	4.65251
Topological Polar Surface Area	73.81 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	409.13727
Monoisotopic Mass	409.13727
Heavy Atoms	29
Complexity	1128.0864

Chemical Identifiers

CAS Number	848869-77-2
SMILES	CCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC(=CC=C4)F)C)/C(=O)N=C2S1