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146931-13-7 | Benzeneethanamine, N-[2-[[bis(4-fluorophenyl)methyl]thio]ethyl]-N-methyl-3-(trifluoromethyl)-
CAS No: 146931-13-7 Catalog No: AG001EFY MDL No:
Product Description
Catalog Number:
AG001EFY
Chemical Name:
Benzeneethanamine, N-[2-[[bis(4-fluorophenyl)methyl]thio]ethyl]-N-methyl-3-(trifluoromethyl)-
CAS Number:
146931-13-7
Molecular Formula:
C25H24F5NS
Molecular Weight:
465.5218
IUPAC Name:
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-N-methyl-2-phenylethanamine
InChI:
InChI=1S/C24H25F2NS/c1-27(16-15-19-5-3-2-4-6-19)17-18-28-24(20-7-11-22(25)12-8-20)21-9-13-23(26)14-10-21/h2-14,24H,15-18H2,1H3
InChI Key:
RTRUBGIMENCJJK-UHFFFAOYSA-N
SMILES:
CN(CCc1cccc(c1)C(F)(F)F)CCSC(c1ccc(cc1)F)c1ccc(cc1)F
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.168g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.528g/mol
Monoisotopic Mass:
397.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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