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1201916-31-5 | 6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)-
CAS No: 1201916-31-5 Catalog No: AG000QJR MDL No:
Product Description
Catalog Number:
AG000QJR
Chemical Name:
6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)-
CAS Number:
1201916-31-5
Molecular Formula:
C18H17N3O3
Molecular Weight:
323.3459
IUPAC Name:
N-hydroxy-2-oxo-3-(3-phenylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxaline-6-carboxamide
InChI:
InChI=1S/C18H25N3O3/c22-17(21-24)13-9-10-14-16(11-13)19-15(18(23)20-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-16,19,24H,4,7-11H2,(H,20,23)(H,21,22)
InChI Key:
CSPOZLMUZAZKQV-UHFFFAOYSA-N
SMILES:
ONC(=O)c1ccc2c(c1)nc(c(=O)[nH]2)CCCc1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
331.416g/mol
Monoisotopic Mass:
331.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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