3-(2-bromo-4-{[(4E)-2,5-dioxo-1-propylimidazolidin-4-ylidene]methyl}-6-methoxyphenoxymethyl)benzoic acid

3-(2-bromo-4-{[(4E)-2,5-dioxo-1-propylimidazolidin-4-ylidene]methyl}-6-methoxyphenoxymethyl)benzoic acid

Formula: C22H21BrN2O6

SMILES: CCCN1C(=O)NC(=CC2=CC(Br)=C(OCC3=CC=CC(=C3)C(O)=O)C(OC)=C2)C1=O

IUPAC: 3-[(2-bromo-4-{[(4E)-2,5-dioxo-1-propylimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid

InChI: InChI=1S/C22H21BrN2O6/c1-3-7-25-20(26)17(24-22(25)29)10-14-9-16(23)19(18(11-14)30-2)31-12-13-5-4-6-15(8-13)21(27)28/h4-6,8-11H,3,7,12H2,1-2H3,(H,24,29)(H,27,28)/b17-10+

Composition: C (54.00%), H (4.33%), Br (16.33%), N (5.73%), O (19.62%)

Molar Mass: 489.322

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	488.058299
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	RZXVHEADFLRQLX-LICLKQGHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.31
Topological Polar Surface Area	105.17
Polarizability	44.53
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21BrN2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00