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

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

Formula: C27H30N2O5

SMILES: CCOC1=CC(CNC2=CC=C(N3CCOCC3)C(=C2)C(O)=O)=CC=C1OCC1=CC=CC=C1

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

InChI: InChI=1S/C27H30N2O5/c1-2-33-26-16-21(8-11-25(26)34-19-20-6-4-3-5-7-20)18-28-22-9-10-24(23(17-22)27(30)31)29-12-14-32-15-13-29/h3-11,16-17,28H,2,12-15,18-19H2,1H3,(H,30,31)

Composition: C (70.11%), H (6.54%), N (6.06%), O (17.29%)

Molar Mass: 462.546

Atom Count: 64

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	462.215472074
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	XXYXBZORCZMQDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	133.91
Topological Polar Surface Area	80.26
Polarizability	50.16
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H30N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00