Home Pyridines 1105192-58-2
1105192-58-2,MFCD11986463
Catalog No.:AA01ARRE
1105192-58-2 | 2-Morpholin-4-yl-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
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Technical Information
Catalog Number:
AA01ARRE
Chemical Name:
2-Morpholin-4-yl-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CAS Number:
1105192-58-2
Molecular Formula:
C15H14N4O2S
Molecular Weight:
314.3623
MDL Number:
MFCD11986463
IUPAC Name:
2-morpholin-4-yl-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
InChI:
InChI=1S/C15H14N4O2S/c20-14-12-13(11(17-18-14)10-4-2-1-3-5-10)22-15(16-12)19-6-8-21-9-7-19/h1-5H,6-9H2,(H,18,20)
InChI Key:
MQYXXOOWTVYGRR-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1nc(s2)N1CCOCC1)c1ccccc1
Properties
Computed Properties
 
Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.084g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.363g/mol
Monoisotopic Mass:
314.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
1105192-58-2 
2-morpholin-4-yl-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one 
F2135-0623 
2-(morpholin-4-yl)-7-phenyl-4H,5H-[1,3]thiazolo[4,5-d]pyridazin-4-one 
2-(morpholin-4-yl)-7-phenyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one 
2-(morpholin-4-yl)-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one 
2-(morpholin-4-yl)-7-phenyl[1,3]thiazolo[4,5-d]pyridazin-4-ol 
STL191432 
STL301348 
ZINC26421188 
AKOS005206303 
AKOS016402881 
MCULE-8885819484 
L-4262 
Literature
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