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886365-70-4 | 1-(6-CHLORO-PYRIDIN-3-YL)-3-(4-BOC-PIPERAZIN-1-YL)-BUTAN-1-ONE
CAS No: 886365-70-4 Catalog No: AG0049LH MDL No:
Product Description
Catalog Number:
AG0049LH
Chemical Name:
1-(6-CHLORO-PYRIDIN-3-YL)-3-(4-BOC-PIPERAZIN-1-YL)-BUTAN-1-ONE
CAS Number:
886365-70-4
Molecular Formula:
C18H26ClN3O3
Molecular Weight:
367.8703
IUPAC Name:
tert-butyl 4-[4-(6-chloropyridin-3-yl)-4-oxobutan-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C18H26ClN3O3/c1-13(11-15(23)14-5-6-16(19)20-12-14)21-7-9-22(10-8-21)17(24)25-18(2,3)4/h5-6,12-13H,7-11H2,1-4H3
InChI Key:
RXQWCYRZXJWQSI-UHFFFAOYSA-N
SMILES:
CC(N1CCN(CC1)C(=O)OC(C)(C)C)CC(=O)c1ccc(nc1)Cl
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.166g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.874g/mol
Monoisotopic Mass:
367.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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