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

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

Formula: C27H29ClN2O5

SMILES: CCOC1=CC(CNC2=CC=C(N3CCOCC3)C(=C2)C(O)=O)=CC=C1OCC1=CC=CC=C1Cl

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

InChI: InChI=1S/C27H29ClN2O5/c1-2-34-26-15-19(7-10-25(26)35-18-20-5-3-4-6-23(20)28)17-29-21-8-9-24(22(16-21)27(31)32)30-11-13-33-14-12-30/h3-10,15-16,29H,2,11-14,17-18H2,1H3,(H,31,32)

Composition: C (65.25%), H (5.88%), Cl (7.13%), N (5.64%), O (16.10%)

Molar Mass: 496.99

Atom Count: 64

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	496.1764997
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	GSVVTQYTTPICOH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	138.72
Topological Polar Surface Area	80.26
Polarizability	52.05
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H29ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00