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TRPM8 antagonist 2 1mg

CAT: 0628-A19329-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A19329-1Size:1 mg
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CAS Number
259674-19-6

Chemical Information

TRPM8 antagonist 2
CAS Number259674-19-6
PubChem CID57055437
IUPAC Namemethyl (2S)-2-(dibenzylamino)-3-(1H-indol-3-yl)propanoate
Molecular FormulaC26H26N2O2
Molecular Weight398.5
XLogP5.5
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity507
SMILES
COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1
InChIKey
HHVOOJDLCVOLKI-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of TRPM8 antagonist 2
CAS: 259674-19-6
CID: 57055437
Formula: C26H26N2O2
MW: 398.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass398.199428076
Monoisotopic Mass398.199428076
Topological Polar Surface Area45.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity507
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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