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Home > Other Heterocycles > 821306-12-1
821306-12-1 | 3-Azabicyclo[3.2.1]octane-2,7-dione, 1-ethyl-3-(3-thienylacetyl)-
CAS No: 821306-12-1 Catalog No: AG0051I1 MDL No:
Product Description
Catalog Number:
AG0051I1
Chemical Name:
3-Azabicyclo[3.2.1]octane-2,7-dione, 1-ethyl-3-(3-thienylacetyl)-
CAS Number:
821306-12-1
Molecular Formula:
C15H17NO3S
Molecular Weight:
291.3654
IUPAC Name:
1-ethyl-3-(2-thiophen-3-ylacetyl)-3-azabicyclo[3.2.1]octane-2,7-dione
InChI:
InChI=1S/C15H17NO3S/c1-2-15-7-11(5-12(15)17)8-16(14(15)19)13(18)6-10-3-4-20-9-10/h3-4,9,11H,2,5-8H2,1H3
InChI Key:
LBOFHUAPVZUQKN-UHFFFAOYSA-N
SMILES:
CCC12CC(CC1=O)CN(C2=O)C(=O)Cc1cscc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.365g/mol
Monoisotopic Mass:
291.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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