3-[(5E)-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid

3-[(5E)-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid

Formula: C21H16N2O8

SMILES: CCOC1=CC2=C(OCO2)C=C1C=C1/C(=O)NC(=O)N(C1=O)C1=CC=CC(=C1)C(O)=O

IUPAC: 3-[(5E)-5-[(6-ethoxy-2H-1,3-benzodioxol-5-yl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid

InChI: InChI=1S/C21H16N2O8/c1-2-29-15-9-17-16(30-10-31-17)8-12(15)7-14-18(24)22-21(28)23(19(14)25)13-5-3-4-11(6-13)20(26)27/h3-9H,2,10H2,1H3,(H,26,27)(H,22,24,28)/b14-7+

Composition: C (59.44%), H (3.80%), N (6.60%), O (30.16%)

Molar Mass: 424.365

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	424.090665483
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	GIXCHUXJSGGHTG-VGOFMYFVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.03
Topological Polar Surface Area	131.47
Polarizability	39.95
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H16N2O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00