PF-04957325 100mg

CAT: 0628-A21246-100Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0628-A21246-100Size:100 mg

Selected

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

Quick Request Actions

CAS Number

1305115-80-3

Chemical Information

PF-04957325

CAS Number	1305115-80-3
PubChem CID	52938379
IUPAC Name	3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
Molecular Formula	C14H15F3N8OS
Molecular Weight	400.38
XLogP	0.5
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	517

SMILES

C1CO[C@H](CN1CC2=NC=CS2)CN3C4=NC(=NC(=C4N=N3)N)C(F)(F)F

InChI

InChI=1S/C14H15F3N8OS/c15-14(16,17)13-20-11(18)10-12(21-13)25(23-22-10)6-8-5-24(2-3-26-8)7-9-19-1-4-27-9/h1,4,8H,2-3,5-7H2,(H2,18,20,21)/t8-/m1/s1

InChIKey

VNLPYEMGHGDRRZ-MRVPVSSYSA-N

Chemical Structure

2D Structure

CAS: 1305115-80-3

CID: 52938379

Formula: C14H15F3N8OS

MW: 400.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	400.38
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	400.10416279
Monoisotopic Mass	400.10416279
Topological Polar Surface Area	136 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	517
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