AC1MV3RO

4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid

Also Known As: AG-690/40721658|(Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid|4-({[(2Z)-2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid|4-({[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid|4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid

Molecular Formula	C20H17N3O6S
Molecular Weight	427.0838 g/mol
LogP	2.7036
Topological Polar Surface Area	117.53 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	427.0838
Monoisotopic Mass	427.0838
Heavy Atoms	30
Complexity	1053.0073

Chemical Identifiers

CAS Number	333327-76-7
SMILES	CN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(=O)O