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84000-69-1 | Isothiazolo[3,4-b]pyridine-5-carbonitrile,3-[2-(1-ethyl-1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-6-quinolinyl)diazenyl]-
CAS No: 84000-69-1 Catalog No: AG004U8O MDL No:
Product Description
Catalog Number:
AG004U8O
Chemical Name:
Isothiazolo[3,4-b]pyridine-5-carbonitrile,3-[2-(1-ethyl-1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-6-quinolinyl)diazenyl]-
CAS Number:
84000-69-1
Molecular Formula:
C22H24N6S
Molecular Weight:
404.5312
IUPAC Name:
3-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)diazenyl]-[1,2]thiazolo[3,4-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C22H24N6S/c1-6-28-19-7-13(2)18(9-16(19)14(3)10-22(28,4)5)25-26-21-17-8-15(11-23)12-24-20(17)27-29-21/h7-9,12,14H,6,10H2,1-5H3
InChI Key:
GXFUXIFXTBCGTC-UHFFFAOYSA-N
SMILES:
CCN1c2cc(C)c(cc2C(CC1(C)C)C)N=Nc1snc2c1cc(C#N)cn2
EC Number:
281-625-8
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.178g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.536g/mol
Monoisotopic Mass:
404.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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