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

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

Formula: C19H22N2O4

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

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

InChI: InChI=1S/C19H22N2O4/c1-24-16-4-2-3-14(11-16)13-20-15-5-6-18(17(12-15)19(22)23)21-7-9-25-10-8-21/h2-6,11-12,20H,7-10,13H2,1H3,(H,22,23)

Composition: C (66.65%), H (6.48%), N (8.18%), O (18.69%)

Molar Mass: 342.395

Atom Count: 47

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 342.157957196
Formal Charge 0
FSP3 0.32
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey GOIZOJQOPRTFRX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.09
Topological Polar Surface Area 71.03
Polarizability 36.22
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H22N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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