Home Sulfos tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5h)-carboxylate

tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5h)-carboxylate

CAS No.:
259809-79-5
Catalog Number:
AG002RAG
Molecular Formula:
C13H19N3O4S
Molecular Weight:
313.3727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$433
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Product Description
Catalog Number:
AG002RAG
Chemical Name:
tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5h)-carboxylate
CAS Number:
259809-79-5
Molecular Formula:
C13H19N3O4S
Molecular Weight:
313.3727
MDL Number:
MFCD09839783
IUPAC Name:
tert-butyl 2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C13H19N3O4S/c1-13(2,3)20-12(17)16-6-5-10-9(8-16)7-14-11(15-10)21(4,18)19/h7H,5-6,8H2,1-4H3
InChI Key:
XJOLEDYHJUZKPW-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cnc(n2)S(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.372g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties