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30768-50-4 | Benzoic acid, 4-[[[5-amino-7-[(ethoxycarbonyl)amino]-1,2-dihydropyrido[3,4-b]pyrazin-3-yl]methyl]methylamino]-, methyl ester
CAS No: 30768-50-4 Catalog No: AG00318F MDL No:
Product Description
Catalog Number:
AG00318F
Chemical Name:
Benzoic acid, 4-[[[5-amino-7-[(ethoxycarbonyl)amino]-1,2-dihydropyrido[3,4-b]pyrazin-3-yl]methyl]methylamino]-, methyl ester
CAS Number:
30768-50-4
Molecular Formula:
C20H24N6O4
Molecular Weight:
412.4424
IUPAC Name:
methyl 4-[[5-amino-7-(ethoxycarbonylamino)-1,2-dihydropyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoate
InChI:
InChI=1S/C20H24N6O4/c1-4-30-20(28)25-16-9-15-17(18(21)24-16)23-13(10-22-15)11-26(2)14-7-5-12(6-8-14)19(27)29-3/h5-9,22H,4,10-11H2,1-3H3,(H3,21,24,25,28)
InChI Key:
XBHLDPLKLQVISW-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cc2NCC(=Nc2c(n1)N)CN(c1ccc(cc1)C(=O)OC)C
UNII:
2474MH090T
NSC Number:
128300
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.186g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
412.45g/mol
Monoisotopic Mass:
412.186g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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