AC1MXVVC

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

Also Known As: AM-879/40861538|4-(2-((1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid|4-[2-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid|4-{2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-pyrrol-1-yl}benzoic acid|4-{2-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid

Molecular Formula	C20H19N3O4S
Molecular Weight	397.10962 g/mol
LogP	2.5544
Topological Polar Surface Area	82.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	397.10962
Monoisotopic Mass	397.10962
Heavy Atoms	28
Complexity	963.13464

Chemical Identifiers

CAS Number	445455-79-8
SMILES	CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)O)C(=O)N(C1=S)CC