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164365-20-2 | Phenol, 4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl-3,3,4,4,4-d5]-
CAS No: 164365-20-2 Catalog No: AG001UU9 MDL No:
Product Description
Catalog Number:
AG001UU9
Chemical Name:
Phenol, 4-[(1Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl-3,3,4,4,4-d5]-
CAS Number:
164365-20-2
Molecular Formula:
C26H24D5NO2
Molecular Weight:
392.5448
IUPAC Name:
4-[(Z)-3,3,4,4,4-pentadeuterio-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
InChI:
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-/i1D3,4D2
InChI Key:
TXUZVZSFRXZGTL-FUYVPVGLSA-N
SMILES:
CN(CCOc1ccc(cc1)/C(=C(/C(C([2H])([2H])[2H])([2H])[2H])\c1ccccc1)/c1ccc(cc1)O)C
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
392.251g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
5
Molecular Weight:
392.554g/mol
Monoisotopic Mass:
392.251g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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