200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 101477-46-7
101477-46-7 | Piperazine, 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)phenylmethyl]-, (2E)-2-butenedioate (1:1)
CAS No: 101477-46-7 Catalog No: AG0004KX MDL No:
Product Description
Catalog Number:
AG0004KX
Chemical Name:
Piperazine, 1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)phenylmethyl]-, (2E)-2-butenedioate (1:1)
CAS Number:
101477-46-7
Molecular Formula:
C30H33FN2O6
Molecular Weight:
536.5912
IUPAC Name:
but-2-enedioic acid;1-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)-phenylmethyl]piperazine
InChI:
InChI=1S/C26H29FN2O2.C4H4O4/c1-30-24-13-10-22(25(18-24)31-2)19-28-14-16-29(17-15-28)26(20-6-4-3-5-7-20)21-8-11-23(27)12-9-21;5-3(6)1-2-4(7)8/h3-13,18,26H,14-17,19H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
JXDKIRAUYBNFDA-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)O.COc1ccc(c(c1)OC)CN1CCN(CC1)C(c1ccc(cc1)F)c1ccccc1
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.232g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
536.6g/mol
Monoisotopic Mass:
536.232g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.