FG8119

CAT: 0127-BUP21637-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21637-02Size:5 mg

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

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CAS Number

106447-61-4

Synonyms

NNC13-8119

MDL Number

MFCD00929084

Purity

=98%

Smiles

O=C1C=2C=CC=CC2N3C=NC(C4=NOC(=N4)C5CC5)=C3CN1C

Chemical Information

FG 8119

structure given in first source

CAS Number	106447-61-4
PubChem CID	129327
IUPAC Name	3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Molecular Formula	C17H15N5O2
Molecular Weight	321.33
XLogP	1.2
Topological Polar Surface Area	77.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	513

SMILES

CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C4=NOC(=N4)C5CC5

InChI

InChI=1S/C17H15N5O2/c1-21-8-13-14(15-19-16(24-20-15)10-6-7-10)18-9-22(13)12-5-3-2-4-11(12)17(21)23/h2-5,9-10H,6-8H2,1H3

InChIKey

YZIWCURGXWGKPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106447-61-4

CID: 129327

Formula: C17H15N5O2

MW: 321.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.33
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	321.12257474
Monoisotopic Mass	321.12257474
Topological Polar Surface Area	77.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	513
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
T11278-01	FG8119