GSK-7975A

CAT: 0607-BA6566-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6566-5Size:5 mg

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

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CAS Number

1253186-56-9

Form

A solid

Molecular Formula

C18H12F5N3O2

Molecular Weight

397.30

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Gsk-7975A

CAS Number	1253186-56-9
PubChem CID	59547990
IUPAC Name	2,6-difluoro-N-[1-[[4-hydroxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
Molecular Formula	C18H12F5N3O2
Molecular Weight	397.3
XLogP	3.7
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	540

SMILES

C1=CC(=C(C(=C1)F)C(=O)NC2=NN(C=C2)CC3=C(C=C(C=C3)O)C(F)(F)F)F

InChI

InChI=1S/C18H12F5N3O2/c19-13-2-1-3-14(20)16(13)17(28)24-15-6-7-26(25-15)9-10-4-5-11(27)8-12(10)18(21,22)23/h1-8,27H,9H2,(H,24,25,28)

InChIKey

CPYTVBALBFSXSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1253186-56-9

CID: 59547990

Formula: C18H12F5N3O2

MW: 397.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.3
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	397.08496744
Monoisotopic Mass	397.08496744
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	540
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