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Home > Fluorides > 909675-91-8
909675-91-8 | 5-(5-[1-(2-METHYLBENZOYL)PIPERIDIN-4-YL]-1,2,4-OXADIAZOL-3-YL)-2-(TRIFLUOROMETHYL)PYRIDINE
CAS No: 909675-91-8 Catalog No: AG006G9O MDL No:
Product Description
Catalog Number:
AG006G9O
Chemical Name:
5-(5-[1-(2-METHYLBENZOYL)PIPERIDIN-4-YL]-1,2,4-OXADIAZOL-3-YL)-2-(TRIFLUOROMETHYL)PYRIDINE
CAS Number:
909675-91-8
Molecular Formula:
C21H19F3N4O2
Molecular Weight:
416.3964
IUPAC Name:
(2-methylphenyl)-[4-[3-[6-(trifluoromethyl)pyridin-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
InChI:
InChI=1S/C21H19F3N4O2/c1-13-4-2-3-5-16(13)20(29)28-10-8-14(9-11-28)19-26-18(27-30-19)15-6-7-17(25-12-15)21(22,23)24/h2-7,12,14H,8-11H2,1H3
InChI Key:
GICOQSBRYOGOGB-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)N1CCC(CC1)c1onc(n1)c1ccc(nc1)C(F)(F)F
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.146g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.404g/mol
Monoisotopic Mass:
416.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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