AC1MCF1E

5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyanobut-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate;triethylazanium

Also Known As: 11P-824|2-amino-4-(1,3-benzodioxol-5-yl)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)- 1-butene-1,1,3-tricarbonitrile, triethylamine salt|2-amino-3-[(2H-1,3-benzodioxol-5-yl)(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methyl]prop-1-ene-1,1,3-tricarbonitrile; triethylamine|5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyanobut-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; triethylazanium

Molecular Formula	C26H31N5O6
Molecular Weight	509.22745 g/mol
LogP	0.71104
Topological Polar Surface Area	178.88 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	509.22745
Monoisotopic Mass	509.22745
Heavy Atoms	37
Complexity	1175.77

Chemical Identifiers

CAS Number	477709-40-3
SMILES	CC[NH+](CC)CC.CC1(OC(=C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)C(C#N)C(=C(C#N)C#N)N)[O-])C