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88468-07-9 | Urea, N-heptyl-N-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS No: 88468-07-9 Catalog No: AG004BTR MDL No:
Product Description
Catalog Number:
AG004BTR
Chemical Name:
Urea, N-heptyl-N-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS Number:
88468-07-9
Molecular Formula:
C23H29F3N2O
Molecular Weight:
406.4844
IUPAC Name:
1-heptyl-1-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C23H29F3N2O/c1-2-3-4-5-9-16-28(17-15-19-11-7-6-8-12-19)22(29)27-21-14-10-13-20(18-21)23(24,25)26/h6-8,10-14,18H,2-5,9,15-17H2,1H3,(H,27,29)
InChI Key:
QPDUGXKFHNQTOI-UHFFFAOYSA-N
SMILES:
CCCCCCCN(C(=O)Nc1cccc(c1)C(F)(F)F)CCc1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.223g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.493g/mol
Monoisotopic Mass:
406.223g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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