AB52271
858671-91-7 | 2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB52271
ChemicalName
2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
CasNumber
858671-91-7
MolecularFormula
C11H20N2O2
MolecularWeight
212.2887
MdlNumber
MFCD18249863
Smiles
O=C(N1CC2CCC1CN2)OC(C)(C)C
Complexity
260
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.1
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CatalogNumber: AB52271
ChemicalName: 2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
CasNumber: 858671-91-7
MolecularFormula: C11H20N2O2
MolecularWeight: 212.2887
MdlNumber: MFCD18249863
Smiles: O=C(N1CC2CCC1CN2)OC(C)(C)C
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.1
CatalogNumber:
AB52271
ChemicalName:
2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
CasNumber:
858671-91-7
MolecularFormula:
C11H20N2O2
MolecularWeight:
212.2887
MdlNumber:
MFCD18249863
Smiles:
O=C(N1CC2CCC1CN2)OC(C)(C)C
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.1
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Smiles: CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br
Complexity: 642
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
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Smiles:
CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br
Complexity:
642
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
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Smiles: ClC(=O)c1cccc(c1)C(=O)Cl
Complexity: __
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Smiles:
ClC(=O)c1cccc(c1)C(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__