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Home Carboxys 2-Mercapto-4-oxo-3-phenyl-3,4-dihydro-quinazoline-7-carboxylic acid

2-Mercapto-4-oxo-3-phenyl-3,4-dihydro-quinazoline-7-carboxylic acid

CAS No.:
379245-45-1
Catalog Number:
AG00I7GO
Molecular Formula:
C15H10N2O3S
Molecular Weight:
298.3165
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Product Description
Catalog Number:
AG00I7GO
Chemical Name:
2-Mercapto-4-oxo-3-phenyl-3,4-dihydro-quinazoline-7-carboxylic acid
CAS Number:
379245-45-1
Molecular Formula:
C15H10N2O3S
Molecular Weight:
298.3165
MDL Number:
MFCD03154349
IUPAC Name:
4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
InChI:
InChI=1S/C15H10N2O3S/c18-13-11-7-6-9(14(19)20)8-12(11)16-15(21)17(13)10-4-2-1-3-5-10/h1-8H,(H,16,21)(H,19,20)
InChI Key:
YBSLPAFLOHBZKC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nc(n(c2=O)c1ccccc1)S
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.041g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
298.316g/mol
Monoisotopic Mass:
298.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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
Properties