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Home > Pyridines > 1803591-27-6
1803591-27-6 | 7-(ethanesulfonyl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS No: 1803591-27-6 Catalog No: AG01AGF4 MDL No:MFCD28064198
Product Description
Catalog Number:
AG01AGF4
Chemical Name:
7-(ethanesulfonyl)-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CAS Number:
1803591-27-6
Molecular Formula:
C9H13N3O3S
Molecular Weight:
243.2828
MDL Number:
MFCD28064198
IUPAC Name:
7-ethylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
InChI:
InChI=1S/C9H13N3O3S/c1-2-16(14,15)12-4-3-7-8(5-12)10-6-11-9(7)13/h6H,2-5H2,1H3,(H,10,11,13)
InChI Key:
VGSVOKKMUDRCLE-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)N1CCc2c(C1)nc[nH]c2=O
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.281g/mol
Monoisotopic Mass:
243.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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