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1026723-45-4 | Butanoic acid, 4-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-4-oxo-
CAS No: 1026723-45-4 Catalog No: AG00082F MDL No:MFCD18382332
Product Description
Catalog Number:
AG00082F
Chemical Name:
Butanoic acid, 4-[methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-4-oxo-
CAS Number:
1026723-45-4
Molecular Formula:
C21H22F3NO4
Molecular Weight:
409.3989
MDL Number:
MFCD18382332
IUPAC Name:
4-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C21H22F3NO4/c1-25(19(26)11-12-20(27)28)14-13-18(15-5-3-2-4-6-15)29-17-9-7-16(8-10-17)21(22,23)24/h2-10,18H,11-14H2,1H3,(H,27,28)
InChI Key:
SAIPSZMZTANCFE-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)N(CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.15g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.405g/mol
Monoisotopic Mass:
409.15g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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