AC1LZW3H

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

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

Molecular Formula	C23H17BrN6OS
Molecular Weight	504.0368 g/mol
LogP	4.91911
Topological Polar Surface Area	86.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	504.0368
Monoisotopic Mass	504.0368
Heavy Atoms	32
Complexity	1372.3784

Chemical Identifiers

CAS Number	844862-72-2
SMILES	CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5