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175215-31-3 | Cyclohexaneethanesulfonamide, 1-[[(2,7-dimethyl[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]methyl]-
CAS No: 175215-31-3 Catalog No: AG0020QB MDL No:
Product Description
Catalog Number:
AG0020QB
Chemical Name:
Cyclohexaneethanesulfonamide, 1-[[(2,7-dimethyl[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]methyl]-
CAS Number:
175215-31-3
Molecular Formula:
C16H25N5O3S
Molecular Weight:
367.4664
IUPAC Name:
2-[1-[(2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxymethyl]cyclohexyl]ethanesulfonamide
InChI:
InChI=1S/C16H25N5O3S/c1-12-10-14-18-13(2)19-21(14)20-15(12)24-11-16(6-4-3-5-7-16)8-9-25(17,22)23/h10H,3-9,11H2,1-2H3,(H2,17,22,23)
InChI Key:
REMOABBRHUVCDB-UHFFFAOYSA-N
SMILES:
Cc1cc2nc(nn2nc1OCC1(CCS(=O)(=O)N)CCCCC1)C
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.468g/mol
Monoisotopic Mass:
367.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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