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

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

Formula: C25H25ClN2O4

SMILES: OC(=O)C1=CC(NCC2=CC=C(OCC3=CC=C(Cl)C=C3)C=C2)=CC=C1N1CCOCC1

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

InChI: InChI=1S/C25H25ClN2O4/c26-20-5-1-19(2-6-20)17-32-22-8-3-18(4-9-22)16-27-21-7-10-24(23(15-21)25(29)30)28-11-13-31-14-12-28/h1-10,15,27H,11-14,16-17H2,(H,29,30)

Composition: C (66.30%), H (5.56%), Cl (7.83%), N (6.18%), O (14.13%)

Molar Mass: 452.94

Atom Count: 57

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	452.150285
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	HKNQOIAICLSSBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.5
Topological Polar Surface Area	71.03
Polarizability	47.67
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25ClN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00