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1361112-99-3 | 3-(3-p-Tolyl-isoxazol-5-ylmethyl)-piperidine-1
CAS No: 1361112-99-3 Catalog No: AG01FOHD MDL No:
Product Description
Catalog Number:
AG01FOHD
Chemical Name:
3-(3-p-Tolyl-isoxazol-5-ylmethyl)-piperidine-1
CAS Number:
1361112-99-3
IUPAC Name:
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C22H28N2O5/c1-15-6-8-16(9-7-15)18-12-17(29-23-18)13-22(19(25)26)10-5-11-24(14-22)20(27)28-21(2,3)4/h6-9,12H,5,10-11,13-14H2,1-4H3,(H,25,26)
InChI Key:
HBPHYZBPXVEWQM-UHFFFAOYSA-N
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.2g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.475g/mol
Monoisotopic Mass:
400.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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