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(2E)-N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-(4-fluorophenyl)prop-2-enamide

(2E)-N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-(4-fluorophenyl)prop-2-enamide

Formula: C26H20FN5O

SMILES: FC1=CC=C(C=CC(=O)NC2=NN3C(CC(=NC3=N2)C2=CC=CC=C2)C2=CC=CC=C2)C=C1

IUPAC: (2E)-N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-3-(4-fluorophenyl)prop-2-enamide

InChI: InChI=1/C26H20FN5O/c27-21-14-11-18(12-15-21)13-16-24(33)29-25-30-26-28-22(19-7-3-1-4-8-19)17-23(32(26)31-25)20-9-5-2-6-10-20/h1-16,23H,17H2,(H,29,31,33)/b16-13+

Composition: C (71.38%), H (4.61%), F (4.34%), N (16.01%), O (3.66%)

Molar Mass: 437.478

Atom Count: 53

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 437.165188447
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WCUVPBJUCOQXRD-DTQAZKPQNA-N
Lipinski's Rule of Five
Molar Refractivity 140.62
Topological Polar Surface Area 72.17
Polarizability 46.59
Ring Count 5
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H20FN5O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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