5-(4-{[(5E)-1-(4-bromo-2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxymethyl)furan-2-carboxylic acid

5-(4-{[(5E)-1-(4-bromo-2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxymethyl)furan-2-carboxylic acid

Formula: C26H21BrN2O8

SMILES: CCOC1=CC(C=C2/C(=O)NC(=O)N(C2=O)C2=CC=C(Br)C=C2C)=CC=C1OCC1=CC=C(O1)C(O)=O

IUPAC: 5-[(4-{[(5E)-1-(4-bromo-2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C26H21BrN2O8/c1-3-35-22-12-15(4-8-20(22)36-13-17-6-9-21(37-17)25(32)33)11-18-23(30)28-26(34)29(24(18)31)19-7-5-16(27)10-14(19)2/h4-12H,3,13H2,1-2H3,(H,32,33)(H,28,30,34)/b18-11+

Composition: C (54.85%), H (3.72%), Br (14.03%), N (4.92%), O (22.48%)

Molar Mass: 569.364

Atom Count: 58

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	568.048129
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	LZVQHVCNDGSHKF-WOJGMQOQSA-N
Lipinski's Rule of Five
Molar Refractivity	135.27
Topological Polar Surface Area	135.38
Polarizability	51.05
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H21BrN2O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00