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2-({4,6-bis[(2-fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)-N-(4-ethoxyphenyl)acetamide

2-({4,6-bis[(2-fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)-N-(4-ethoxyphenyl)acetamide

Formula: C25H23F2N7O2

SMILES: CCOC1=CC=C(NC(=O)CNC2=NC(NC3=CC=CC=C3F)=NC(NC3=CC=CC=C3F)=N2)C=C1

IUPAC: 2-({4,6-bis[(2-fluorophenyl)amino]-1,3,5-triazin-2-yl}amino)-N-(4-ethoxyphenyl)acetamide

InChI: InChI=1S/C25H23F2N7O2/c1-2-36-17-13-11-16(12-14-17)29-22(35)15-28-23-32-24(30-20-9-5-3-7-18(20)26)34-25(33-23)31-21-10-6-4-8-19(21)27/h3-14H,2,15H2,1H3,(H,29,35)(H3,28,30,31,32,33,34)

Composition: C (61.09%), H (4.72%), F (7.73%), N (19.95%), O (6.51%)

Molar Mass: 491.503

Atom Count: 59

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 491.188129335
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey WLMILUGDDNUMCT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 135.53
Topological Polar Surface Area 113.09
Polarizability 48.47
Ring Count 4
Rotatable Bond Count 10

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H23F2N7O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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