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Home > Other Heterocycles > 89398-08-3
89398-08-3 | 3-Thia-7-azabicyclo[3.3.1]nonan-9-ol,9-phenyl-7-(phenylmethyl)-, syn- (9CI)
CAS No: 89398-08-3 Catalog No: AG003W9F MDL No:
Product Description
Catalog Number:
AG003W9F
Chemical Name:
3-Thia-7-azabicyclo[3.3.1]nonan-9-ol,9-phenyl-7-(phenylmethyl)-, syn- (9CI)
CAS Number:
89398-08-3
Molecular Formula:
C20H23NOS
Molecular Weight:
325.4677
IUPAC Name:
7-benzyl-9-phenyl-3-thia-7-azabicyclo[3.3.1]nonan-9-ol
InChI:
InChI=1S/C20H23NOS/c22-20(17-9-5-2-6-10-17)18-12-21(13-19(20)15-23-14-18)11-16-7-3-1-4-8-16/h1-10,18-19,22H,11-15H2
InChI Key:
YQDDHWHBYAKZDJ-UHFFFAOYSA-N
SMILES:
OC1(C2CSCC1CN(C2)Cc1ccccc1)c1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.47g/mol
Monoisotopic Mass:
325.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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