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31404-59-8 | 7-Isoquinolinesulfonamide,2-acetyl-1,2,3,4-tetrahydro-
CAS No: 31404-59-8 Catalog No: AG007JMR MDL No:
Product Description
Catalog Number:
AG007JMR
Chemical Name:
7-Isoquinolinesulfonamide,2-acetyl-1,2,3,4-tetrahydro-
CAS Number:
31404-59-8
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
IUPAC Name:
2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
InChI:
InChI=1S/C11H14N2O3S/c1-8(14)13-5-4-9-2-3-11(17(12,15)16)6-10(9)7-13/h2-3,6H,4-5,7H2,1H3,(H2,12,15,16)
InChI Key:
XYVQFXSDLNCVQQ-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)cc(cc2)S(=O)(=O)N
EC Number:
250-616-0
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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