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4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzenesulfonamide

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzenesulfonamide

CAS: 253688-61-8

Formula: C26H27N5O6S

SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=NC(=NC(OCCO)=C1OC1=C(O)C=CC=C1)C1=NC=CC=N1

IUPAC: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide

InChI: InChI=1S/C26H27N5O6S/c1-26(2,3)17-9-11-18(12-10-17)38(34,35)31-22-21(37-20-8-5-4-7-19(20)33)25(36-16-15-32)30-24(29-22)23-27-13-6-14-28-23/h4-14,32-33H,15-16H2,1-3H3,(H,29,30,31)

Composition: C (58.09%), H (5.06%), N (13.03%), O (17.86%), S (5.96%)

Molar Mass: 537.59

Atom Count: 65

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 537.168204783
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 3
InChIKey STTLKJGYAWXIPP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 162.17
Topological Polar Surface Area 156.65
Polarizability 54.5
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 253688-61-8 $164.22-$1,293.36$164.22$302.94$726.24$1,293.36
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