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923034-29-1 | 1,4-Benzodioxin-6-sulfonamide, N-(5-acetyl-2-pyrimidinyl)-2,3-dihydro-
CAS No: 923034-29-1 Catalog No: AG0068FR MDL No:
Product Description
Catalog Number:
AG0068FR
Chemical Name:
1,4-Benzodioxin-6-sulfonamide, N-(5-acetyl-2-pyrimidinyl)-2,3-dihydro-
CAS Number:
923034-29-1
Molecular Formula:
C14H13N3O5S
Molecular Weight:
335.3351
IUPAC Name:
N-(5-acetylpyrimidin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
InChI:
InChI=1S/C14H13N3O5S/c1-9(18)10-7-15-14(16-8-10)17-23(19,20)11-2-3-12-13(6-11)22-5-4-21-12/h2-3,6-8H,4-5H2,1H3,(H,15,16,17)
InChI Key:
LCWVFKDWWFJJHO-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(nc1)NS(=O)(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.058g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.334g/mol
Monoisotopic Mass:
335.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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