AC1LYDA7

2-chloro-4-[5-[(E)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Also Known As: (E)-2-chloro-4-(5-((4,6-dioxo-2-thioxo-1-(o-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid|2-chloro-4-(5-{(E)-[1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid|2-chloro-4-[5-[(E)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Molecular Formula	C23H15ClN2O5S
Molecular Weight	466.03903 g/mol
LogP	4.43792
Topological Polar Surface Area	99.85 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	466.03903
Monoisotopic Mass	466.03903
Heavy Atoms	32
Complexity	1327.4259

Chemical Identifiers

CAS Number	348575-93-9
SMILES	CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)/C(=O)NC2=S