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101221-55-0 | [1,1'-Biphenyl]-4-carboxylic acid, 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl ester
CAS No: 101221-55-0 Catalog No: AG0003ZI MDL No:
Product Description
Catalog Number:
AG0003ZI
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl ester
CAS Number:
101221-55-0
Molecular Formula:
C25H24F3NO2
Molecular Weight:
427.4588
IUPAC Name:
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-phenylbenzoate
InChI:
InChI=1S/C25H24F3NO2/c1-18(16-19-6-5-9-23(17-19)25(26,27)28)29-14-15-31-24(30)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-13,17-18,29H,14-16H2,1H3
InChI Key:
OKSJMZHFRHDVOD-UHFFFAOYSA-N
SMILES:
CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.176g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.467g/mol
Monoisotopic Mass:
427.176g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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