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

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

Formula: C24H17Cl2N5O

SMILES: ClC1=CC=C(C=C1)C(=O)NC1=NN2C(CC(=NC2=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1

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

InChI: InChI=1/C24H17Cl2N5O/c25-18-10-6-15(7-11-18)20-14-21(16-4-2-1-3-5-16)31-24(27-20)29-23(30-31)28-22(32)17-8-12-19(26)13-9-17/h1-13,21H,14H2,(H,28,30,32)

Composition: C (62.35%), H (3.71%), Cl (15.34%), N (15.15%), O (3.46%)

Molar Mass: 462.33

Atom Count: 49

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 461.0810156
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NUHOBGRIEFGQKC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 140.27
Topological Polar Surface Area 72.17
Polarizability 47.22
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H17Cl2N5O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H17Cl2N5O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote