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1311279-57-8 | 4-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperazine-1-carboxylic acid (4-chloro-phenyl)-amide
CAS No: 1311279-57-8 Catalog No: AG01FGYQ MDL No:
Product Description
Catalog Number:
AG01FGYQ
Chemical Name:
4-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperazine-1-carboxylic acid (4-chloro-phenyl)-amide
CAS Number:
1311279-57-8
IUPAC Name:
N-(4-chlorophenyl)-4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]piperazine-1-carboxamide
InChI:
InChI=1S/C18H17Cl2F3N4O/c19-13-1-3-14(4-2-13)25-17(28)27-7-5-26(6-8-27)11-16-15(20)9-12(10-24-16)18(21,22)23/h1-4,9-10H,5-8,11H2,(H,25,28)
InChI Key:
QCBAQDKQGAQHID-UHFFFAOYSA-N
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.073g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.256g/mol
Monoisotopic Mass:
432.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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