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

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

Formula: C22H19ClN2O7

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

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

InChI: InChI=1S/C22H19ClN2O7/c1-24-19(26)15(20(27)25(2)22(24)30)8-13-9-16(23)18(17(10-13)31-3)32-11-12-5-4-6-14(7-12)21(28)29/h4-10H,11H2,1-3H3,(H,28,29)

Composition: C (57.59%), H (4.17%), Cl (7.73%), N (6.11%), O (24.41%)

Molar Mass: 458.85

Atom Count: 51

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	458.0880787
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	ARJYGQIOYTYDQJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.51
Topological Polar Surface Area	113.45
Polarizability	43.73
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19ClN2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00