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Home > Pyridines > 1105192-40-2
1105192-40-2 | 7-Phenyl-2-pyrrolidin-1-yl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CAS No: 1105192-40-2 Catalog No: AG01ARTI MDL No:MFCD11986458
Product Description
Catalog Number:
AG01ARTI
Chemical Name:
7-Phenyl-2-pyrrolidin-1-yl[1,3]thiazolo[4,5-d]pyridazin-4(5H)-one
CAS Number:
1105192-40-2
Molecular Formula:
C15H14N4OS
Molecular Weight:
298.3629
MDL Number:
MFCD11986458
IUPAC Name:
7-phenyl-2-pyrrolidin-1-yl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
InChI:
InChI=1S/C15H14N4OS/c20-14-12-13(21-15(16-12)19-8-4-5-9-19)11(17-18-14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,18,20)
InChI Key:
OMXYFAXQUJUTGY-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1nc(s2)N1CCCC1)c1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.364g/mol
Monoisotopic Mass:
298.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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