AC1LNVFW

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

Also Known As: ChemDiv3_005243|4-{2,5-dimethyl-3-[(Z)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid|(Z)-4-(2,5-dimethyl-3-((1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-pyrrol-1-yl)benzoic acid|4-[2,5-dimethyl-3-[(Z)-(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid|4-{2,5-dimethyl-3-[(Z)-(1-methyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoic acid

Molecular Formula	C19H17N3O4S
Molecular Weight	383.09396 g/mol
LogP	2.04884
Topological Polar Surface Area	91.64 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	383.09396
Monoisotopic Mass	383.09396
Heavy Atoms	27
Complexity	1018.3209

Chemical Identifiers

CAS Number	444071-65-2
SMILES	CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=C\3/C(=O)NC(=S)N(C3=O)C