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Home > Other Heterocycles > 138663-21-5
138663-21-5 | Spiro[benzofuran-2(3H),1'-cyclohexane]-7-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-, (S)- (9CI)
CAS No: 138663-21-5 Catalog No: AG0018YX MDL No:
Product Description
Catalog Number:
AG0018YX
Chemical Name:
Spiro[benzofuran-2(3H),1'-cyclohexane]-7-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-, (S)- (9CI)
CAS Number:
138663-21-5
Molecular Formula:
C21H27ClN2O2
Molecular Weight:
374.9043
IUPAC Name:
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chlorospiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carboxamide
InChI:
InChI=1S/C21H27ClN2O2/c22-16-10-15-12-21(6-2-1-3-7-21)26-19(15)17(11-16)20(25)23-18-13-24-8-4-14(18)5-9-24/h10-11,14,18H,1-9,12-13H2,(H,23,25)
InChI Key:
AERMVUPJHDNYRW-UHFFFAOYSA-N
SMILES:
Clc1cc2CC3(Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2)CCCCC3
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.909g/mol
Monoisotopic Mass:
374.176g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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