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1291486-86-6 | 8-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-o
CAS No: 1291486-86-6 Catalog No: AG00HRX2 MDL No:MFCD18804066
Product Description
Catalog Number:
AG00HRX2
Chemical Name:
8-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-o
CAS Number:
1291486-86-6
Molecular Formula:
C15H14N4O3S
Molecular Weight:
330.3617
MDL Number:
MFCD18804066
IUPAC Name:
8-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C15H14N4O3S/c20-15-17-16-14-13(6-3-8-19(14)15)23(21,22)18-9-7-11-4-1-2-5-12(11)10-18/h1-6,8H,7,9-10H2,(H,17,20)
InChI Key:
ZTDQEULORHZBLJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2n1cccc2S(=O)(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.362g/mol
Monoisotopic Mass:
330.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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