methyl 2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-iodo-6-methoxyphenoxy)acetate

methyl 2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-iodo-6-methoxyphenoxy)acetate

Formula: C22H17IN2O9

SMILES: COC(=O)COC1=C(I)C=C(C=C2C(=O)NC(=O)N(C2=O)C2=CC=C3OCOC3=C2)C=C1OC

IUPAC: methyl 2-(4-{[(5Z)-1-(2H-1,3-benzodioxol-5-yl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-iodo-6-methoxyphenoxy)acetate

InChI: InChI=1S/C22H17IN2O9/c1-30-17-7-11(6-14(23)19(17)32-9-18(26)31-2)5-13-20(27)24-22(29)25(21(13)28)12-3-4-15-16(8-12)34-10-33-15/h3-8H,9-10H2,1-2H3,(H,24,27,29)/b13-5-

Composition: C (45.54%), H (2.95%), I (21.87%), N (4.83%), O (24.81%)

Molar Mass: 580.287

Atom Count: 51

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	579.99788
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	CUXRUFOQACICLM-ACAGNQJTSA-N
Lipinski's Rule of Five
Molar Refractivity	123.7
Topological Polar Surface Area	129.7
Polarizability	48.08
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17IN2O9		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00