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Home > Pyridines > 725717-42-0
725717-42-0 | 5-(2-HYDROXY-BENZOYL)-2-OXO-1-THIAZOL-2-YL-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE
CAS No: 725717-42-0 Catalog No: AG00FC51 MDL No:MFCD03962140
Product Description
Catalog Number:
AG00FC51
Chemical Name:
5-(2-HYDROXY-BENZOYL)-2-OXO-1-THIAZOL-2-YL-1,2-DIHYDRO-PYRIDINE-3-CARBONITRILE
CAS Number:
725717-42-0
Molecular Formula:
C16H9N3O3S
Molecular Weight:
323.3260
MDL Number:
MFCD03962140
IUPAC Name:
5-(2-hydroxybenzoyl)-2-oxo-1-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C16H9N3O3S/c17-8-10-7-11(14(21)12-3-1-2-4-13(12)20)9-19(15(10)22)16-18-5-6-23-16/h1-7,9,20H
InChI Key:
ZFTRCKXDSNNHLN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cn(c1=O)c1nccs1)C(=O)c1ccccc1O
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.036g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.326g/mol
Monoisotopic Mass:
323.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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