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Home > Other Heterocycles > 400713-41-9
400713-41-9 | [2,2'-Bithiophene]-5-carboxamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-
CAS No: 400713-41-9 Catalog No: AG0075UC MDL No:
Product Description
Catalog Number:
AG0075UC
Chemical Name:
[2,2'-Bithiophene]-5-carboxamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-
CAS Number:
400713-41-9
Molecular Formula:
C16H18N2OS2
Molecular Weight:
318.4569
IUPAC Name:
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
InChI:
InChI=1S/C16H18N2OS2/c19-16(17-12-10-18-7-5-11(12)6-8-18)15-4-3-14(21-15)13-2-1-9-20-13/h1-4,9,11-12H,5-8,10H2,(H,17,19)/t12-/m0/s1
InChI Key:
BUAOGICCFROPLN-LBPRGKRZSA-N
SMILES:
O=C(c1ccc(s1)c1cccs1)N[C@H]1CN2CCC1CC2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
318.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.453g/mol
Monoisotopic Mass:
318.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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