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N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methoxybenzamide

N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methoxybenzamide

Formula: C25H21N5O2

SMILES: COC1=CC=C(C=C1)C(=O)NC1=NN2C(CC(=NC2=N1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: N-{5,7-diphenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methoxybenzamide

InChI: InChI=1/C25H21N5O2/c1-32-20-14-12-19(13-15-20)23(31)27-24-28-25-26-21(17-8-4-2-5-9-17)16-22(30(25)29-24)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3,(H,27,29,31)

Composition: C (70.91%), H (5.00%), N (16.54%), O (7.56%)

Molar Mass: 423.476

Atom Count: 53

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 423.169524936
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey GAPNMOAXVZMEEU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 137.12
Topological Polar Surface Area 81.4
Polarizability 45.99
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H21N5O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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