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89007-07-8 | Piperazine, 1-[(3-chlorophenyl)acetyl]-4-pyrazinyl-
CAS No: 89007-07-8 Catalog No: AG0044ZW MDL No:
Product Description
Catalog Number:
AG0044ZW
Chemical Name:
Piperazine, 1-[(3-chlorophenyl)acetyl]-4-pyrazinyl-
CAS Number:
89007-07-8
Molecular Formula:
C16H17ClN4O
Molecular Weight:
316.7854
IUPAC Name:
2-(3-chlorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C16H17ClN4O/c17-14-3-1-2-13(10-14)11-16(22)21-8-6-20(7-9-21)15-12-18-4-5-19-15/h1-5,10,12H,6-9,11H2
InChI Key:
ZPAQBLNXQHATLH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CC(=O)N1CCN(CC1)c1cnccn1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.789g/mol
Monoisotopic Mass:
316.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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