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1417793-38-4 | 1-Piperidinecarboxylic acid, 4-[(6-nitro-2-quinoxalinyl)amino]-, 1,1-dimethylethyl ester
CAS No: 1417793-38-4 Catalog No: AG001H2Y MDL No:MFCD22631646
Product Description
Catalog Number:
AG001H2Y
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(6-nitro-2-quinoxalinyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1417793-38-4
Molecular Formula:
C18H23N5O4
Molecular Weight:
373.4063
MDL Number:
MFCD22631646
IUPAC Name:
tert-butyl 4-[(6-nitroquinoxalin-2-yl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C18H23N5O4/c1-18(2,3)27-17(24)22-8-6-12(7-9-22)20-16-11-19-15-10-13(23(25)26)4-5-14(15)21-16/h4-5,10-12H,6-9H2,1-3H3,(H,20,21)
InChI Key:
CAZAZUSDTDKVKE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Nc1cnc2c(n1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.175g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.413g/mol
Monoisotopic Mass:
373.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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