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Home > Other Heterocycles > 1955499-63-4
1955499-63-4 | 3-[(4-METHOXYPHENYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS No: 1955499-63-4 Catalog No: AG01AT17 MDL No:MFCD26793136
Product Description
Catalog Number:
AG01AT17
Chemical Name:
3-[(4-METHOXYPHENYL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HYDROCHLORIDE
CAS Number:
1955499-63-4
Molecular Formula:
C14H20ClNOS
Molecular Weight:
285.8327
MDL Number:
MFCD26793136
IUPAC Name:
3-(4-methoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C14H19NOS.ClH/c1-16-12-4-6-13(7-5-12)17-14-8-10-2-3-11(9-14)15-10;/h4-7,10-11,14-15H,2-3,8-9H2,1H3;1H
InChI Key:
QQVRLVFBBJHECV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.83g/mol
Monoisotopic Mass:
285.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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