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87555-62-2 | N'-(1-ISOQUINOLIN-1-YLETHYL)-4-PYRIDIN-2-YLPIPERAZINE-1-CARBOTHIOHYDRAZIDE
CAS No: 87555-62-2 Catalog No: AG004MNU MDL No:
Product Description
Catalog Number:
AG004MNU
Chemical Name:
N'-(1-ISOQUINOLIN-1-YLETHYL)-4-PYRIDIN-2-YLPIPERAZINE-1-CARBOTHIOHYDRAZIDE
CAS Number:
87555-62-2
Molecular Formula:
C21H24N6S
Molecular Weight:
392.5205
IUPAC Name:
N'-(1-isoquinolin-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carbothiohydrazide
InChI:
InChI=1S/C21H24N6S/c1-16(20-18-7-3-2-6-17(18)9-11-23-20)24-25-21(28)27-14-12-26(13-15-27)19-8-4-5-10-22-19/h2-11,16,24H,12-15H2,1H3,(H,25,28)
InChI Key:
KLYOLLLMOLFUSQ-UHFFFAOYSA-N
SMILES:
S=C(N1CCN(CC1)c1ccccn1)NNC(c1nccc2c1cccc2)C
NSC Number:
353896
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.525g/mol
Monoisotopic Mass:
392.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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