5-[({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

5-[({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

Formula: C26H26Cl2N2O5

SMILES: COC1=CC(CNC2=CC=C(N3CCOCC3)C(=C2)C(O)=O)=CC=C1OCC1=C(Cl)C=CC=C1Cl

IUPAC: 5-[({4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

InChI: InChI=1S/C26H26Cl2N2O5/c1-33-25-13-17(5-8-24(25)35-16-20-21(27)3-2-4-22(20)28)15-29-18-6-7-23(19(14-18)26(31)32)30-9-11-34-12-10-30/h2-8,13-14,29H,9-12,15-16H2,1H3,(H,31,32)

Composition: C (60.36%), H (5.07%), Cl (13.70%), N (5.41%), O (15.46%)

Molar Mass: 517.4

Atom Count: 61

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	516.1218773
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	QADJBSHBFFUTIC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.77
Topological Polar Surface Area	80.26
Polarizability	52.12
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H26Cl2N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00