AC1LUNR9

2-[[2,4-dimethoxy-5-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione

Also Known As: (E)-2-(5-((4,6-dioxo-2-thioxo-1-(p-tolyl)tetrahydropyrimidin-5(2H)-ylidene)methyl)-2,4-dimethoxybenzyl)isoindoline-1,3-dione|2-(2,4-dimethoxy-5-{(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzyl)-1H-isoindole-1,3(2H)-dione|2-[[2,4-dimethoxy-5-[(E)-[1-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl]methyl]isoindole-1,3-dione

Molecular Formula	C29H23N3O6S
Molecular Weight	541.13074 g/mol
LogP	3.63972
Topological Polar Surface Area	105.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	541.13074
Monoisotopic Mass	541.13074
Heavy Atoms	39
Complexity	1560.0011

Chemical Identifiers

CAS Number	714286-80-3
SMILES	CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C=C(C(=C3)CN4C(=O)C5=CC=CC=C5C4=O)OC)OC)/C(=O)NC2=S