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UGT8-IN-1

CAT: 0607-BA8397-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8397-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2414349-93-0
Form
A solid
Molecular Formula
C20H22F6N4O4S
Molecular Weight
528.47
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at 4°C.

Chemical Information

Ugt8-IN-1
CAS Number2414349-93-0
PubChem CID146490788
IUPAC Name[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] N-[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamate
Molecular FormulaC20H22F6N4O4S
Molecular Weight528.5
XLogP4.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity750
SMILES
C[C@@H](COC(F)(F)F)NC(=O)OC1CCN(CC1)C2=NC3=C(C(=C2)C(F)(F)F)SC=C3C(=O)NC
InChI
InChI=1S/C20H22F6N4O4S/c1-10(8-33-20(24,25)26)28-18(32)34-11-3-5-30(6-4-11)14-7-13(19(21,22)23)16-15(29-14)12(9-35-16)17(31)27-2/h7,9-11H,3-6,8H2,1-2H3,(H,27,31)(H,28,32)/t10-/m0/s1
InChIKey
UQQUABVWYAPTIQ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Ugt8-IN-1
CAS: 2414349-93-0
CID: 146490788
Formula: C20H22F6N4O4S
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass528.12659534
Monoisotopic Mass528.12659534
Topological Polar Surface Area121 Ų
Heavy Atom Count35
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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