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N-[5-(4-chlorophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

N-[5-(4-chlorophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

Formula: C24H18ClN5O

SMILES: ClC1=CC=C(C=C1)C1=NC2=NC(NC(=O)C3=CC=CC=C3)=NN2C(C1)C1=CC=CC=C1

IUPAC: N-[5-(4-chlorophenyl)-7-phenyl-6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

InChI: InChI=1/C24H18ClN5O/c25-19-13-11-16(12-14-19)20-15-21(17-7-3-1-4-8-17)30-24(26-20)28-23(29-30)27-22(31)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,27,29,31)

Composition: C (67.37%), H (4.24%), Cl (8.28%), N (16.37%), O (3.74%)

Molar Mass: 427.89

Atom Count: 49

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 427.1199879
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DYJGXGQBFHXULI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 135.46
Topological Polar Surface Area 72.17
Polarizability 45.34
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H18ClN5O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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