YM 90709

CAT: 0024-sc-361414Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-361414Size:10 mg

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CAS Number

163769-88-8

Chemical Information

YM 90709

LSM-2128 is a quinoxaline derivative.

CAS Number	163769-88-8
PubChem CID	1103147
IUPAC Name	16,17-dimethoxy-21,21-dimethyl-1,3,10-triazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2,4,6,8,10,12,14,16,18-nonaene
Molecular Formula	C22H21N3O2
Molecular Weight	359.4
XLogP	3.6
Topological Polar Surface Area	49.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	556

SMILES

CC1(CC2=CC(=C(C=C2C3=CC4=NC5=CC=CC=C5N=C4N31)OC)OC)C

InChI

InChI=1S/C22H21N3O2/c1-22(2)12-13-9-19(26-3)20(27-4)10-14(13)18-11-17-21(25(18)22)24-16-8-6-5-7-15(16)23-17/h5-11H,12H2,1-4H3

InChIKey

HIXSPVQXXDULHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163769-88-8

CID: 1103147

Formula: C22H21N3O2

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	359.16337692
Monoisotopic Mass	359.16337692
Topological Polar Surface Area	49.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	556
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