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6-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide

6-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide

CAS: 2262541-53-5

Formula: C26H30N2O4

SMILES: COCCOCCNC(=O)CCCCC(=O)N1CC2=CC=CC=C2C#CC2=CC=CC=C12

IUPAC: 6-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[2-(2-methoxyethoxy)ethyl]-6-oxohexanamide

InChI: InChI=1S/C26H30N2O4/c1-31-18-19-32-17-16-27-25(29)12-6-7-13-26(30)28-20-23-10-3-2-8-21(23)14-15-22-9-4-5-11-24(22)28/h2-5,8-11H,6-7,12-13,16-20H2,1H3,(H,27,29)

Composition: C (71.87%), H (6.96%), N (6.45%), O (14.73%)

Molar Mass: 434.536

Atom Count: 62

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 434.220557454
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZLRRUJIWEPADTG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.33
Topological Polar Surface Area 67.87
Polarizability 47.64
Ring Count 3
Rotatable Bond Count 11

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2262541-53-5 $127.58-$926.10$127.58$184.28$926.10
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