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Home > Fluorides > 232953-52-5
232953-52-5 | 2,4(1H,3H)-Pyrimidinedione, 5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propyl]-
CAS No: 232953-52-5 Catalog No: AG002MSN MDL No:
Product Description
Catalog Number:
AG002MSN
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propyl]-
CAS Number:
232953-52-5
Molecular Formula:
C20H25F3N4O3
Molecular Weight:
426.4327
IUPAC Name:
5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione;hydrochloride
InChI:
InChI=1S/C20H25F3N4O3.ClH/c1-15-13-24-19(29)27(18(15)28)8-4-7-25-9-11-26(12-10-25)16-5-2-3-6-17(16)30-14-20(21,22)23;/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,24,29);1H
InChI Key:
CWVABCXVOAVUJL-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c(=O)n1CCCN1CCN(CC1)c1ccccc1OCC(F)(F)F)C
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.165g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
462.898g/mol
Monoisotopic Mass:
462.165g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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