AC44033
89398-04-9 | 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one
Manufacturer: A2B Chem
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CatalogNumber
AC44033
ChemicalName
7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one
CasNumber
89398-04-9
MolecularFormula
C14H17NOS
MolecularWeight
247.35588000000004
MdlNumber
MFCD00795098
Smiles
O=C1C2CSCC1CN(C2)Cc1ccccc1
NscNumber
636667
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.7
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CatalogNumber: AC44033
ChemicalName: 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one
CasNumber: 89398-04-9
MolecularFormula: C14H17NOS
MolecularWeight: 247.35588000000004
MdlNumber: MFCD00795098
Smiles: O=C1C2CSCC1CN(C2)Cc1ccccc1
NscNumber: 636667
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.7
CatalogNumber:
AC44033
ChemicalName:
7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one
CasNumber:
89398-04-9
MolecularFormula:
C14H17NOS
MolecularWeight:
247.35588000000004
MdlNumber:
MFCD00795098
Smiles:
O=C1C2CSCC1CN(C2)Cc1ccccc1
NscNumber:
636667
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.7
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Smiles: COc1ccc(c(c1)[N+](=O)[O-])OC
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Smiles:
COc1ccc(c(c1)[N+](=O)[O-])OC
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Smiles: OC(=O)c1cc(nc2c1cccc2)c1c[nH]c2c1cccc2
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Smiles:
OC(=O)c1cc(nc2c1cccc2)c1c[nH]c2c1cccc2
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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__
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Smiles: BrCc1ccc(cc1I)[N+](=O)[O-]
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1I)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__