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SF 11

CAT: 1410-M27709-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M27709-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NPY Y2 antagonist.
CAS Number
443292-81-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
446.6
Molecular Formula
C27H30N2O2S
Notes
Research use only, not for human use.
Receptor
Drug Metabolite

Chemical Information

N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide

N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide is a diarylmethane.

CAS Number443292-81-7
PubChem CID2936384
IUPAC NameN-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
Molecular FormulaC27H30N2O2S
Molecular Weight446.6
XLogP5.1
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity554
SMILES
CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H30N2O2S/c1-2-31-25-15-13-24(14-16-25)28-26(32)29-19-17-23(18-20-29)27(30,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,30H,2,17-20H2,1H3,(H,28,32)
InChIKey
PMEQBGAGFZDWQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
CAS: 443292-81-7
CID: 2936384
Formula: C27H30N2O2S
MW: 446.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass446.20279938
Monoisotopic Mass446.20279938
Topological Polar Surface Area76.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity554
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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