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1858255-49-8 | tert-Butyl 4-[3-(ethoxycarbonyl)quinoxalin-2-yl]homopiperazine-1-carboxylate
CAS No: 1858255-49-8 Catalog No: AG01FGMM MDL No:
Product Description
Catalog Number:
AG01FGMM
Chemical Name:
tert-Butyl 4-[3-(ethoxycarbonyl)quinoxalin-2-yl]homopiperazine-1-carboxylate
CAS Number:
1858255-49-8
IUPAC Name:
ethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
InChI:
InChI=1S/C21H28N4O4/c1-5-28-19(26)17-18(23-16-10-7-6-9-15(16)22-17)24-11-8-12-25(14-13-24)20(27)29-21(2,3)4/h6-7,9-10H,5,8,11-14H2,1-4H3
InChI Key:
QDNSVXJMRAKUTH-UHFFFAOYSA-N
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.211g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.479g/mol
Monoisotopic Mass:
400.211g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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