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

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

Formula: C22H22N2O6

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

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

InChI: InChI=1S/C22H22N2O6/c1-3-10-24-20(25)17(23-22(24)28)11-15-6-9-18(19(12-15)29-2)30-13-14-4-7-16(8-5-14)21(26)27/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,28)(H,26,27)/b17-11+

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 410.426

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	410.147786436
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PRDVPJOVNGEXTD-GZTJUZNOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.69
Topological Polar Surface Area	105.17
Polarizability	41.66
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00