ethyl 5-[({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoate

ethyl 5-[({2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methyl)amino]-2-(morpholin-4-yl)benzoate

Formula: C28H31FN2O5

SMILES: CCOC(=O)C1=CC(NCC2=CC=CC(OC)=C2OCC2=CC=CC=C2F)=CC=C1N1CCOCC1

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

InChI: InChI=1S/C28H31FN2O5/c1-3-35-28(32)23-17-22(11-12-25(23)31-13-15-34-16-14-31)30-18-20-8-6-10-26(33-2)27(20)36-19-21-7-4-5-9-24(21)29/h4-12,17,30H,3,13-16,18-19H2,1-2H3

Composition: C (68.00%), H (6.32%), F (3.84%), N (5.66%), O (16.17%)

Molar Mass: 494.563

Atom Count: 67

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	494.221700269
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	HNCPKKPUQJZXCX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	138.9
Topological Polar Surface Area	69.26
Polarizability	51.93
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H31FN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00