AC1O4HDW

(6E)-6-[[1-(3,5-dichlorophenyl)-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-(3,5-dichlorophenyl)-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-(3,5-dichlorophenyl)-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-(3,5-dichlorophenyl)-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	C23H23Cl2N5OS
Molecular Weight	487.10004 g/mol
LogP	6.45631
Topological Polar Surface Area	73.81 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	487.10004
Monoisotopic Mass	487.10004
Heavy Atoms	32
Complexity	1202.9653

Chemical Identifiers

CAS Number	844827-28-7
SMILES	CCC(CC)C1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC(=CC(=C4)Cl)Cl)C)/C(=O)N=C2S1