AC1LJN19

5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Also Known As: 5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|AH-487/41036542|5-((1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione|(5E)-6-hydroxy-5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-sulfanylpyrimidin-4(5H)-one|5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Molecular Formula	C17H14IN3O2S
Molecular Weight	450.98514 g/mol
LogP	2.61304
Topological Polar Surface Area	63.13 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	450.98514
Monoisotopic Mass	450.98514
Heavy Atoms	24
Complexity	892.5546

Chemical Identifiers

CAS Number	508186-85-4
SMILES	CC1=CC(=C(N1C2=CC(=CC=C2)I)C)C=C3C(=O)NC(=S)NC3=O