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WAY-204688 25mg

CAT: 0628-A20757-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20757-25Size:25 mg
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CAS Number
796854-35-8

Chemical Information

Way-204688
CAS Number796854-35-8
PubChem CID9829162
IUPAC Name(2S)-2-[(S)-(2-methoxyphenyl)-naphthalen-1-ylmethyl]-2-methyl-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanenitrile
Molecular FormulaC34H31F3N2O2
Molecular Weight556.6
XLogP7.8
Topological Polar Surface Area53.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity938
SMILES
C[C@@](C#N)([C@H](C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCC(CC4)C5=CC(=CC=C5)C(F)(F)F
InChI
InChI=1S/C34H31F3N2O2/c1-33(22-38,32(40)39-19-17-23(18-20-39)25-11-7-12-26(21-25)34(35,36)37)31(29-14-5-6-16-30(29)41-2)28-15-8-10-24-9-3-4-13-27(24)28/h3-16,21,23,31H,17-20H2,1-2H3/t31-,33+/m0/s1
InChIKey
JZPONCMNBSEYQW-CQTOTRCISA-N
Chemical Structure
2D Structure
2D structure of Way-204688
CAS: 796854-35-8
CID: 9829162
Formula: C34H31F3N2O2
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass556.23376272
Monoisotopic Mass556.23376272
Topological Polar Surface Area53.3 Ų
Heavy Atom Count41
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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