5-[({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

5-[({3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoic acid

Formula: C26H26ClFN2O5

SMILES: COC1=CC(CNC2=CC=C(N3CCOCC3)C(=C2)C(O)=O)=CC(Cl)=C1OCC1=CC=C(F)C=C1

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

InChI: InChI=1S/C26H26ClFN2O5/c1-33-24-13-18(12-22(27)25(24)35-16-17-2-4-19(28)5-3-17)15-29-20-6-7-23(21(14-20)26(31)32)30-8-10-34-11-9-30/h2-7,12-14,29H,8-11,15-16H2,1H3,(H,31,32)

Composition: C (62.34%), H (5.23%), Cl (7.08%), F (3.79%), N (5.59%), O (15.97%)

Molar Mass: 500.95

Atom Count: 61

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	500.1514278
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	BDKRVWMMKBTCLH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	134.18
Topological Polar Surface Area	80.26
Polarizability	49.94
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H26ClFN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00