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264623-82-7 | Pyrido[3,4-b]pyrazine-7,7(6H)-dicarboxylic acid, 6-acetyl-5,8-dihydro-, 7,7-diethyl ester
CAS No: 264623-82-7 Catalog No: AG002TC1 MDL No:
Product Description
Catalog Number:
AG002TC1
Chemical Name:
Pyrido[3,4-b]pyrazine-7,7(6H)-dicarboxylic acid, 6-acetyl-5,8-dihydro-, 7,7-diethyl ester
CAS Number:
264623-82-7
Molecular Formula:
C15H19N3O5
Molecular Weight:
321.3285
IUPAC Name:
diethyl 6-acetyl-5,8-dihydropyrido[3,4-b]pyrazine-7,7-dicarboxylate
InChI:
InChI=1S/C15H19N3O5/c1-4-22-13(20)15(14(21)23-5-2)8-11-12(17-7-6-16-11)9-18(15)10(3)19/h6-7H,4-5,8-9H2,1-3H3
InChI Key:
LRQAXLQLWDXRBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(Cc2nccnc2CN1C(=O)C)C(=O)OCC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.333g/mol
Monoisotopic Mass:
321.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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