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N-[2-(4-methoxyphenyl)ethyl]-2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamide

Formula: C22H20N2O3

SMILES: COC1=CC=C(CCNC(=O)CN2C(=O)C3=C4C2=CC=CC4=CC=C3)C=C1

IUPAC: N-[2-(4-methoxyphenyl)ethyl]-2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamide

InChI: InChI=1S/C22H20N2O3/c1-27-17-10-8-15(9-11-17)12-13-23-20(25)14-24-19-7-3-5-16-4-2-6-18(21(16)19)22(24)26/h2-11H,12-14H2,1H3,(H,23,25)

Composition: C (73.32%), H (5.59%), N (7.77%), O (13.32%)

Molar Mass: 360.413

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 360.147392512
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JFPOGCIIXMWYAN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.73
Topological Polar Surface Area 58.64
Polarizability 40.82
Ring Count 4
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H20N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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