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2-({2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]diazen-1-yl}methyl)-4,6-diiodophenol

2-({2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]diazen-1-yl}methyl)-4,6-diiodophenol

Formula: C20H25I2N7O

SMILES: OC1=C(CN=NC2=NC(=NC(=N2)N2CCCCC2)N2CCCCC2)C=C(I)C=C1I

IUPAC: 2-({2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]diazen-1-yl}methyl)-4,6-diiodophenol

InChI: InChI=1S/C20H25I2N7O/c21-15-11-14(17(30)16(22)12-15)13-23-27-18-24-19(28-7-3-1-4-8-28)26-20(25-18)29-9-5-2-6-10-29/h11-12,30H,1-10,13H2

Composition: C (37.93%), H (3.98%), I (40.08%), N (15.48%), O (2.53%)

Molar Mass: 633.277

Atom Count: 55

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 633.021
Formal Charge 0
FSP3 0.55
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey CPPKFHDFXUTALW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 141.35
Topological Polar Surface Area 90.1
Polarizability 51.09
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H25I2N7O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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