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1105198-11-5 | 4-ISOPROPYL-1-(2-METHOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIDAZINE-7-THIOL
CAS No: 1105198-11-5 Catalog No: AG01ARR0 MDL No:MFCD11986588
Product Description
Catalog Number:
AG01ARR0
Chemical Name:
4-ISOPROPYL-1-(2-METHOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIDAZINE-7-THIOL
CAS Number:
1105198-11-5
Molecular Formula:
C15H16N4OS
Molecular Weight:
300.3787
MDL Number:
MFCD11986588
IUPAC Name:
1-(2-methoxyphenyl)-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazine-7-thione
InChI:
InChI=1S/C15H16N4OS/c1-9(2)13-10-8-16-19(14(10)15(21)18-17-13)11-6-4-5-7-12(11)20-3/h4-9H,1-3H3,(H,18,21)
InChI Key:
MZUOVCZURXIAAU-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1ncc2c1c(S)nnc2C(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.38g/mol
Monoisotopic Mass:
300.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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