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

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

Formula: C26H27ClN2O5

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

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

InChI: InChI=1S/C26H27ClN2O5/c1-32-25-14-18(5-8-24(25)34-17-19-3-2-4-20(27)13-19)16-28-21-6-7-23(22(15-21)26(30)31)29-9-11-33-12-10-29/h2-8,13-15,28H,9-12,16-17H2,1H3,(H,30,31)

Composition: C (64.66%), H (5.64%), Cl (7.34%), N (5.80%), O (16.56%)

Molar Mass: 482.96

Atom Count: 61

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	482.1608497
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	ZUNJERBISVAZJZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	133.97
Topological Polar Surface Area	80.26
Polarizability	50.2
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00