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1395493-14-7 | Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 5,8-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
CAS No: 1395493-14-7 Catalog No: AG001B8Z MDL No:
Product Description
Catalog Number:
AG001B8Z
Chemical Name:
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 5,8-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
CAS Number:
1395493-14-7
Molecular Formula:
C13H19N3O4S
Molecular Weight:
313.3727
IUPAC Name:
2-methylsulfonyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
InChI:
InChI=1S/C8H11N3O2S/c1-14(12,13)8-10-4-6-2-3-9-5-7(6)11-8/h4,9H,2-3,5H2,1H3
InChI Key:
JJUDTIXIQLOJHT-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nc(nc2)S(=O)(=O)C)OC(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.255g/mol
Monoisotopic Mass:
213.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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