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2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,¹?]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diamine

2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,¹?]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diamine

Formula: C20H26N2O6

SMILES: NC1=CC2=C(OCCOCCOC3=C(OCCOCCO2)C=CC(N)=C3)C=C1

IUPAC: 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,¹?]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diamine

InChI: InChI=1S/C20H26N2O6/c21-15-1-3-17-19(13-15)27-11-7-24-6-10-26-18-4-2-16(22)14-20(18)28-12-8-23-5-9-25-17/h1-4,13-14H,5-12,21-22H2

Composition: C (61.53%), H (6.71%), N (7.18%), O (24.59%)

Molar Mass: 390.436

Atom Count: 54

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 390.179086565
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 2
InChIKey FZBKJPIOBRHDOZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.52
Topological Polar Surface Area 107.42
Polarizability 40.34
Ring Count 3
Rotatable Bond Count 0

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