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Home > Fluorides > 117221-96-2
117221-96-2 | Urea, N-(4-butoxyphenyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
CAS No: 117221-96-2 Catalog No: AG000DYB MDL No:
Product Description
Catalog Number:
AG000DYB
Chemical Name:
Urea, N-(4-butoxyphenyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
CAS Number:
117221-96-2
Molecular Formula:
C14H15F3N4O2S
Molecular Weight:
360.3547
IUPAC Name:
1-(4-butoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
InChI:
InChI=1S/C14H15F3N4O2S/c1-2-3-8-23-10-6-4-9(5-7-10)18-12(22)19-13-21-20-11(24-13)14(15,16)17/h4-7H,2-3,8H2,1H3,(H2,18,19,21,22)
InChI Key:
IZILOSKSYJBEKI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)NC(=O)Nc1nnc(s1)C(F)(F)F
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.355g/mol
Monoisotopic Mass:
360.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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