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N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamide

N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamide

CAS: 2250216-96-5

Formula: C25H29N3O4

SMILES: NCCOCCOCCNC(=O)CCC(=O)N1CC2=C(C=CC=C2)C#CC2=C1C=CC=C2

IUPAC: N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-{2-azatricyclo[10.4.0.0?,?]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamide

InChI: InChI=1S/C25H29N3O4/c26-13-15-31-17-18-32-16-14-27-24(29)11-12-25(30)28-19-22-7-2-1-5-20(22)9-10-21-6-3-4-8-23(21)28/h1-8H,11-19,26H2,(H,27,29)

Composition: C (68.95%), H (6.71%), N (9.65%), O (14.69%)

Molar Mass: 435.524

Atom Count: 61

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 435.215806426
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ILEXOUGGKQHBOX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.08
Topological Polar Surface Area 93.89
Polarizability 47.33
Ring Count 3
Rotatable Bond Count 11

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2250216-96-5 $330.75-$841.05$330.75$529.20$841.05
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