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25561-81-3 | N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)benzamide
CAS No: 25561-81-3 Catalog No: AG00IWAI MDL No:MFCD00585527
Product Description
Catalog Number:
AG00IWAI
Chemical Name:
N-(1,2,3,4-tetrahydroquinoline-1-carbothioyl)benzamide
CAS Number:
25561-81-3
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
MDL Number:
MFCD00585527
IUPAC Name:
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide
InChI:
InChI=1S/C17H16N2OS/c20-16(14-8-2-1-3-9-14)18-17(21)19-12-6-10-13-7-4-5-11-15(13)19/h1-5,7-9,11H,6,10,12H2,(H,18,20,21)
InChI Key:
IHEOHRXLPNPFTP-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC(=S)N1CCCc2c1cccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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