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339107-28-7 | N-tert-butyl-4-(6-chloropyridin-2-yl)piperazine-1-carboxamide
CAS No: 339107-28-7 Catalog No: AG00IVYN MDL No:MFCD00139041
Product Description
Catalog Number:
AG00IVYN
Chemical Name:
N-tert-butyl-4-(6-chloropyridin-2-yl)piperazine-1-carboxamide
CAS Number:
339107-28-7
Molecular Formula:
C14H21ClN4O
Molecular Weight:
296.7957
MDL Number:
MFCD00139041
IUPAC Name:
N-tert-butyl-4-(6-chloropyridin-2-yl)piperazine-1-carboxamide
InChI:
InChI=1S/C14H21ClN4O/c1-14(2,3)17-13(20)19-9-7-18(8-10-19)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3,(H,17,20)
InChI Key:
PWLDASOFIHLAQW-UHFFFAOYSA-N
SMILES:
Clc1cccc(n1)N1CCN(CC1)C(=O)NC(C)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.799g/mol
Monoisotopic Mass:
296.14g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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