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130818-06-3 | Benzamide, N-[(8-quinolinylamino)thioxomethyl]-
CAS No: 130818-06-3 Catalog No: AG000UZO MDL No:MFCD01568682
Product Description
Catalog Number:
AG000UZO
Chemical Name:
Benzamide, N-[(8-quinolinylamino)thioxomethyl]-
CAS Number:
130818-06-3
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
MDL Number:
MFCD01568682
IUPAC Name:
N-(quinolin-8-ylcarbamothioyl)benzamide
InChI:
InChI=1S/C17H13N3OS/c21-16(13-6-2-1-3-7-13)20-17(22)19-14-10-4-8-12-9-5-11-18-15(12)14/h1-11H,(H2,19,20,21,22)
InChI Key:
CPYKJTUVPPZYJY-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc2c1nccc2)NC(=O)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.371g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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