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Home > Pyridines > 496054-72-9
496054-72-9 | N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]benzamide
CAS No: 496054-72-9 Catalog No: AG00ITHL MDL No:MFCD01567489
Product Description
Catalog Number:
AG00ITHL
Chemical Name:
N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]benzamide
CAS Number:
496054-72-9
Molecular Formula:
C17H18N4OS
Molecular Weight:
326.4160
MDL Number:
MFCD01567489
IUPAC Name:
N-(4-pyridin-2-ylpiperazine-1-carbothioyl)benzamide
InChI:
InChI=1S/C17H18N4OS/c22-16(14-6-2-1-3-7-14)19-17(23)21-12-10-20(11-13-21)15-8-4-5-9-18-15/h1-9H,10-13H2,(H,19,22,23)
InChI Key:
RAVASIPVIJETDP-UHFFFAOYSA-N
SMILES:
S=C(N1CCN(CC1)c1ccccn1)NC(=O)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.418g/mol
Monoisotopic Mass:
326.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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