IWP-O1 200mg

CAT: 0628-A16846-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A16846-200Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2074607-48-8

Chemical Information

2-(5-Phenyl-4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-N-(5-phenylpyridin-2-yl)acetamide

CAS Number	2074607-48-8
PubChem CID	134154594
IUPAC Name	N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
Molecular Formula	C26H20N6O
Molecular Weight	432.5
XLogP	3.8
Topological Polar Surface Area	85.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	614

SMILES

C1=CC=C(C=C1)C2=CN=C(C=C2)NC(=O)CN3C(=C(N=N3)C4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N6O/c33-24(29-23-12-11-22(17-28-23)19-7-3-1-4-8-19)18-32-26(21-9-5-2-6-10-21)25(30-31-32)20-13-15-27-16-14-20/h1-17H,18H2,(H,28,29,33)

InChIKey

GYYDQHBKIHQHEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2074607-48-8

CID: 134154594

Formula: C26H20N6O

MW: 432.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	432.5
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	432.16985928
Monoisotopic Mass	432.16985928
Topological Polar Surface Area	85.6 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes