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SA 152

CAT: 0931-T70705-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T70705-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
142450-99-5
Target
Others, Thrombin
Related Pathways
Proteases/Proteasome, Others
Bioactivity
SA 152 is an organophosphoric inhibitor.
Smiles
C(P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)(NC(C(C(F)(F)F)C(F)(F)F)=O)(C(F)(F)F)C(F)(F)F
Molecular Formula
C19H12F12NO2P
Molecular Weight
545.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CAS Number142450-99-5
PubChem CID382505
IUPAC NameN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Molecular FormulaC19H12F12NO2P
Molecular Weight545.3
XLogP6.2
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity740
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H12F12NO2P/c20-15(21,22)13(16(23,24)25)14(33)32-17(18(26,27)28,19(29,30)31)35(34,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,32,33)
InChIKey
BTDQBMHUARPTSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CAS: 142450-99-5
CID: 382505
Formula: C19H12F12NO2P
MW: 545.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.3
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass545.0414036
Monoisotopic Mass545.0414036
Topological Polar Surface Area46.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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