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Home > Other Heterocycles > 1192651-49-2
1192651-49-2 | 1,6-Diazabicyclo[3.2.1]octane-2-carboxamide, 7-oxo-6-(phenylmethoxy)-, (1R,2S,5R)-
CAS No: 1192651-49-2 Catalog No: AG000IGX MDL No:
Product Description
Catalog Number:
AG000IGX
Chemical Name:
1,6-Diazabicyclo[3.2.1]octane-2-carboxamide, 7-oxo-6-(phenylmethoxy)-, (1R,2S,5R)-
CAS Number:
1192651-49-2
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
IUPAC Name:
(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
InChI:
InChI=1S/C14H17N3O3/c15-13(18)12-7-6-11-8-16(12)14(19)17(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,18)/t11-,12+/m1/s1
InChI Key:
HYTSWLKLRKLRHK-NEPJUHHUSA-N
SMILES:
NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
EC Number:
812-287-7
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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