USP7-IN-8

CAT: 0926-JFD27360-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JFD27360-02Size:50 mg

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

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CAS Number

2009273-60-1

Smiles

C1=CC (=C (C=C1Cl) C2=CSC (=N2) NN) Cl

Molecular Formula

C20H20N4O2

Molecular Weight

348.4 g/mol

Controlled

Chemical Information

Usp7-IN-8

CAS Number	2009273-60-1
PubChem CID	122531799
IUPAC Name	4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide
Molecular Formula	C21H21N3O2
Molecular Weight	347.4
XLogP	3.5
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	456

SMILES

CCC1=C(C(=NC=C1C2=CC=C(C=C2)C(=O)NC)N)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H21N3O2/c1-3-17-18(13-4-6-15(7-5-13)21(26)23-2)12-24-20(22)19(17)14-8-10-16(25)11-9-14/h4-12,25H,3H2,1-2H3,(H2,22,24)(H,23,26)

InChIKey

GUXGBQOCJOOOFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2009273-60-1

CID: 122531799

Formula: C21H21N3O2

MW: 347.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.4
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	347.16337692
Monoisotopic Mass	347.16337692
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	456
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