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1020719-18-9 | Pentanamide, 4-methyl-3-oxo-N-[2-(phenylmethoxy)phenyl]-2-(phenyl-2,3,4,5,6-d5-methylene)-
CAS No: 1020719-18-9 Catalog No: AG0006JX MDL No:
Product Description
Catalog Number:
AG0006JX
Chemical Name:
Pentanamide, 4-methyl-3-oxo-N-[2-(phenylmethoxy)phenyl]-2-(phenyl-2,3,4,5,6-d5-methylene)-
CAS Number:
1020719-18-9
Molecular Formula:
C26H20D5NO3
Molecular Weight:
404.5124
IUPAC Name:
4-methyl-3-oxo-2-[(2,3,4,5,6-pentadeuteriophenyl)methylidene]-N-(2-phenylmethoxyphenyl)pentanamide
InChI:
InChI=1S/C26H25NO3/c1-19(2)25(28)22(17-20-11-5-3-6-12-20)26(29)27-23-15-9-10-16-24(23)30-18-21-13-7-4-8-14-21/h3-17,19H,18H2,1-2H3,(H,27,29)/i3D,5D,6D,11D,12D
InChI Key:
RRNXUUBLQLMXRU-YKDUNGBSSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[2H])[2H])C=C(C(=O)C(C)C)C(=O)Nc1ccccc1OCc1ccccc1
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.215g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
5
Molecular Weight:
404.521g/mol
Monoisotopic Mass:
404.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.1
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