AC1LJL5S

ethyl 2-[2-chloro-4-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate

Also Known As: AB00120883-01|AH-487/40935452|ethyl (2-chloro-4-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetate|ethyl 2-[2-chloro-4-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-6-methoxyphenoxy]acetate|(Z)-ethyl 2-(2-chloro-4-((1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-6-methoxyphenoxy)acetate|ethyl {2-chloro-4-[(1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-6-methoxyphenoxy}acetate

Molecular Formula	C22H18ClFN2O6S
Molecular Weight	492.05582 g/mol
LogP	3.2609
Topological Polar Surface Area	94.17 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	492.05582
Monoisotopic Mass	492.05582
Heavy Atoms	33
Complexity	1152.3202

Chemical Identifiers

CAS Number	444098-33-3
SMILES	CCOC(=O)COC1=C(C=C(C=C1Cl)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OC