GSK-1482160

CAT: 0607-BA6853-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6853-25Size:25 mg

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

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CAS Number

1001389-72-5

Form

A solid

Molecular Formula

C14H14ClF3N2O2

Molecular Weight

334.72

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Gsk-1482160

CAS Number	1001389-72-5
PubChem CID	23649427
IUPAC Name	(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
Molecular Formula	C14H14ClF3N2O2
Molecular Weight	334.72
XLogP	2.2
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	444

SMILES

CN1[C@@H](CCC1=O)C(=O)NCC2=C(C(=CC=C2)C(F)(F)F)Cl

InChI

InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1

InChIKey

BJEMSIVBBUBXMZ-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 1001389-72-5

CID: 23649427

Formula: C14H14ClF3N2O2

MW: 334.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.72
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	334.0695899
Monoisotopic Mass	334.0695899
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	444
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