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329779-50-2 | N-(2-cyanophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CAS No: 329779-50-2 Catalog No: AG00ISW3 MDL No:MFCD02676114
Product Description
Catalog Number:
AG00ISW3
Chemical Name:
N-(2-cyanophenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CAS Number:
329779-50-2
Molecular Formula:
C18H19N5O
Molecular Weight:
321.3764
MDL Number:
MFCD02676114
IUPAC Name:
N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
InChI:
InChI=1S/C18H19N5O/c19-13-15-5-1-2-6-16(15)21-18(24)14-22-9-11-23(12-10-22)17-7-3-4-8-20-17/h1-8H,9-12,14H2,(H,21,24)
InChI Key:
AOTLSYHIAFULIU-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NC(=O)CN1CCN(CC1)c1ccccn1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.159g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.384g/mol
Monoisotopic Mass:
321.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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