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30826-50-7 | Benzoic acid, 4-[[[5,7-bis(acetylamino)pyrido[3,4-b]pyrazin-3-yl]methyl]methylamino]-
CAS No: 30826-50-7 Catalog No: AG0031EI MDL No:
Product Description
Catalog Number:
AG0031EI
Chemical Name:
Benzoic acid, 4-[[[5,7-bis(acetylamino)pyrido[3,4-b]pyrazin-3-yl]methyl]methylamino]-
CAS Number:
30826-50-7
Molecular Formula:
C20H20N6O4
Molecular Weight:
408.4106
IUPAC Name:
4-[(5,7-diacetamidopyrido[3,4-b]pyrazin-3-yl)methyl-methylamino]benzoic acid
InChI:
InChI=1S/C20H20N6O4/c1-11(27)22-17-8-16-18(19(25-17)23-12(2)28)24-14(9-21-16)10-26(3)15-6-4-13(5-7-15)20(29)30/h4-9H,10H2,1-3H3,(H,29,30)(H2,22,23,25,27,28)
InChI Key:
SPHDTCRDTLFSTB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(NC(=O)C)cc2c1nc(cn2)CN(c1ccc(cc1)C(=O)O)C
NSC Number:
138446
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.155g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
408.418g/mol
Monoisotopic Mass:
408.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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