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100508-26-7 | Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[2-(2-methoxyphenoxy)ethyl]-
CAS No: 100508-26-7 Catalog No: AG00026Z MDL No:
Product Description
Catalog Number:
AG00026Z
Chemical Name:
Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-[2-(2-methoxyphenoxy)ethyl]-
CAS Number:
100508-26-7
Molecular Formula:
C22H28N2O4
Molecular Weight:
384.4687
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-(2-methoxyphenoxy)ethyl]piperazine
InChI:
InChI=1S/C22H28N2O4/c1-25-19-6-2-3-7-20(19)26-15-14-23-10-12-24(13-11-23)16-18-17-27-21-8-4-5-9-22(21)28-18/h2-9,18H,10-17H2,1H3
InChI Key:
UPNJDOLJQRGRCS-UHFFFAOYSA-N
SMILES:
COc1ccccc1OCCN1CCN(CC1)CC1COc2c(O1)cccc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.205g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.476g/mol
Monoisotopic Mass:
384.205g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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