200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 929972-81-6
929972-81-6 | 1-cyclopentyl-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 3-nitrobenzene-1-sulfonate
CAS No: 929972-81-6 Catalog No: AG019KJL MDL No:MFCD09040541
Product Description
Catalog Number:
AG019KJL
Chemical Name:
1-cyclopentyl-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 3-nitrobenzene-1-sulfonate
CAS Number:
929972-81-6
Molecular Formula:
C18H18N4O5S
Molecular Weight:
402.4243
MDL Number:
MFCD09040541
IUPAC Name:
(1-cyclopentyl-4-methylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate
InChI:
InChI=1S/C18H18N4O5S/c1-12-9-17(20-18-16(12)11-19-21(18)13-5-2-3-6-13)27-28(25,26)15-8-4-7-14(10-15)22(23)24/h4,7-11,13H,2-3,5-6H2,1H3
InChI Key:
CLAOCIQWWCBDLO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Oc1cc(C)c2c(n1)n(nc2)C1CCCC1
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.425g/mol
Monoisotopic Mass:
402.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.