3-(4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxymethyl)benzoic acid

3-(4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxymethyl)benzoic acid

Formula: C28H24N2O8

SMILES: CCOC1=CC=CC(=C1)N1C(=O)NC(=O)C(=CC2=CC=C(OCC3=CC=CC(=C3)C(O)=O)C(OC)=C2)C1=O

IUPAC: 3-[(4-{[(5Z)-1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

InChI: InChI=1S/C28H24N2O8/c1-3-37-21-9-5-8-20(15-21)30-26(32)22(25(31)29-28(30)35)13-17-10-11-23(24(14-17)36-2)38-16-18-6-4-7-19(12-18)27(33)34/h4-15H,3,16H2,1-2H3,(H,33,34)(H,29,31,35)/b22-13-

Composition: C (65.11%), H (4.68%), N (5.42%), O (24.78%)

Molar Mass: 516.506

Atom Count: 62

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	516.153265741
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	QCZLNUHMHQBOSB-XKZIYDEJSA-N
Lipinski's Rule of Five
Molar Refractivity	136.8
Topological Polar Surface Area	131.47
Polarizability	52
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H24N2O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00