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

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

Formula: C22H20N2O7

SMILES: COC1=CC(C=C2C(=O)N(C)C(=O)N(C)C2=O)=CC=C1OCC1=CC=CC(=C1)C(O)=O

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

InChI: InChI=1S/C22H20N2O7/c1-23-19(25)16(20(26)24(2)22(23)29)10-13-7-8-17(18(11-13)30-3)31-12-14-5-4-6-15(9-14)21(27)28/h4-11H,12H2,1-3H3,(H,27,28)

Composition: C (62.26%), H (4.75%), N (6.60%), O (26.39%)

Molar Mass: 424.409

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	424.127050992
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	PTVVKLXGQNCQHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.71
Topological Polar Surface Area	113.45
Polarizability	41.78
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00