AC1LQF8B

4-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid

Also Known As: (E)-4-(3-((1-(furan-2-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid|4-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid|4-{3-[1-Furan-2-ylmethyl-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-2,5-dimethyl-pyrrol-1-yl}- benzoic acid|4-(3-{(E)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid|4-[3-[(E)-[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid|4-[3-[(E)-[1-(2-furfuryl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid|4-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Molecular Formula	C23H19N3O6
Molecular Weight	433.12738 g/mol
LogP	3.04734
Topological Polar Surface Area	121.85 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	433.12738
Monoisotopic Mass	433.12738
Heavy Atoms	32
Complexity	1265.8033

Chemical Identifiers

CAS Number	345337-36-2
SMILES	CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C/3\C(=O)NC(=O)N(C3=O)CC4=CC=CO4