Cgs 20625 1mg

CAT: 0628-A22611-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A22611-1Size:1 mg

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CAS Number

111205-55-1

Chemical Information

2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]pyrazolo[3,4-d]pyridin-3(2H)-one

LSM-3520 is a member of pyrazoles and a ring assembly.

CAS Number	111205-55-1
PubChem CID	163844
IUPAC Name	4-(4-methoxyphenyl)-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1,6,8-trien-5-one
Molecular Formula	C18H19N3O2
Molecular Weight	309.4
XLogP	3.6
Topological Polar Surface Area	54.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	436

SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2

InChI

InChI=1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3

InChIKey

UBLXQFIFWUEVGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111205-55-1

CID: 163844

Formula: C18H19N3O2

MW: 309.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	309.147726857
Monoisotopic Mass	309.147726857
Topological Polar Surface Area	54.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	436
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

Catalog	Name
254950-01	CGS 20625