SNX-0723

CAT: 0607-BA2099-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2099-1Size:1 mg

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

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CAS Number

1073969-18-2

Form

A solid

Molecular Formula

C22H26FN3O3

Molecular Weight

399.46

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Snx0723

CAS Number	1073969-18-2
PubChem CID	67495834
IUPAC Name	2-fluoro-6-[[(3S)-oxolan-3-yl]amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
Molecular Formula	C22H26FN3O3
Molecular Weight	399.5
XLogP	3.2
Topological Polar Surface Area	86.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	657

SMILES

CC1=CN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C(=C3)F)C(=O)N)N[C@H]4CCOC4

InChI

InChI=1S/C22H26FN3O3/c1-12-10-26(17-8-22(2,3)9-18(27)19(12)17)14-6-15(23)20(21(24)28)16(7-14)25-13-4-5-29-11-13/h6-7,10,13,25H,4-5,8-9,11H2,1-3H3,(H2,24,28)/t13-/m0/s1

InChIKey

GAGDTKJJVCLACJ-ZDUSSCGKSA-N

Chemical Structure

2D Structure

CAS: 1073969-18-2

CID: 67495834

Formula: C22H26FN3O3

MW: 399.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	399.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	399.19581986
Monoisotopic Mass	399.19581986
Topological Polar Surface Area	86.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	657
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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