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879282-19-6

879282-19-6 | Thiazolo[4,5-c]isoquinolin-5(4H)-one, 2-phenyl-

CAS No: 879282-19-6 Catalog No: AG008C01 MDL No:

Product Description

Catalog Number:
AG008C01
Chemical Name:
Thiazolo[4,5-c]isoquinolin-5(4H)-one, 2-phenyl-
CAS Number:
879282-19-6
Molecular Formula:
C16H10N2OS
Molecular Weight:
278.3284
IUPAC Name:
2-phenyl-4H-[1,3]thiazolo[4,5-c]isoquinolin-5-one
InChI:
InChI=1S/C16H10N2OS/c19-15-12-9-5-4-8-11(12)13-14(17-15)18-16(20-13)10-6-2-1-3-7-10/h1-9H,(H,17,19)
InChI Key:
BKGKFBSZLYWKFV-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2nc(sc2c2c1cccc2)c1ccccc1

Properties

Complexity:
383  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.051g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.329g/mol
Monoisotopic Mass:
278.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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