AC1LUX1Q

3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Also Known As: AN-648/41664677|(Z)-3-(2-((1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid|3-(2-{(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid|3-[2-[(Z)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Molecular Formula	C24H19N3O4S
Molecular Weight	445.10962 g/mol
LogP	3.5692
Topological Polar Surface Area	91.64 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	445.10962
Monoisotopic Mass	445.10962
Heavy Atoms	32
Complexity	1274.4062

Chemical Identifiers

CAS Number	587010-23-9
SMILES	CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C(=O)NC2=S