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16869-88-8 | 2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-fluoroethyl)amino]-1,3-bis(phenylmethyl)-
CAS No: 16869-88-8 Catalog No: AG001Y80 MDL No:
Product Description
Catalog Number:
AG001Y80
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-fluoroethyl)amino]-1,3-bis(phenylmethyl)-
CAS Number:
16869-88-8
Molecular Formula:
C22H23F2N3O2
Molecular Weight:
399.4337
IUPAC Name:
1,3-dibenzyl-5-[bis(2-fluoroethyl)amino]pyrimidine-2,4-dione
InChI:
InChI=1S/C22H23F2N3O2/c23-11-13-25(14-12-24)20-17-26(15-18-7-3-1-4-8-18)22(29)27(21(20)28)16-19-9-5-2-6-10-19/h1-10,17H,11-16H2
InChI Key:
XFFPNUSQYLWCTO-UHFFFAOYSA-N
SMILES:
FCCN(c1cn(Cc2ccccc2)c(=O)n(c1=O)Cc1ccccc1)CCF
NSC Number:
100785
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.176g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.442g/mol
Monoisotopic Mass:
399.176g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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