AC1LNRXD

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

Also Known As: AM-879/37176006|3-(5-{(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid|3-[5-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid|(Z)-3-(5-((1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoic acid|3-{5-[(1-(4-bromophenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoic acid

Molecular Formula	C22H13BrN2O5S
Molecular Weight	495.97287 g/mol
LogP	4.2386
Topological Polar Surface Area	99.85 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	495.97287
Monoisotopic Mass	495.97287
Heavy Atoms	31
Complexity	1262.9155

Chemical Identifiers

CAS Number	354561-97-0
SMILES	C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br