Nampt-IN-3

CAT: 0607-BA3116-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3116-1Size:1 mg

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

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CAS Number

2121591-52-2

Form

A solid

Molecular Formula

C29H25N7O2

Molecular Weight

503.55

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nampt-IN-3

CAS Number	2121591-52-2
PubChem CID	137634086
IUPAC Name	N-(2-aminophenyl)-4-[[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]triazol-1-yl]methyl]benzamide
Molecular Formula	C29H25N7O2
Molecular Weight	503.6
XLogP	2.8
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	766

SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CN3C=C(N=N3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C29H25N7O2/c30-25-5-1-2-6-26(25)33-29(38)24-9-7-20(8-10-24)18-36-19-27(34-35-36)22-11-13-23(14-12-22)28(37)32-17-21-4-3-15-31-16-21/h1-16,19H,17-18,30H2,(H,32,37)(H,33,38)

InChIKey

LSGNVZAEAAZOEH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2121591-52-2

CID: 137634086

Formula: C29H25N7O2

MW: 503.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	503.6
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	503.20697307
Monoisotopic Mass	503.20697307
Topological Polar Surface Area	128 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	766
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

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