AI29108
1290627-02-9 | 6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI29108
ChemicalName
6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester
CasNumber
1290627-02-9
MolecularFormula
C18H24N2O3
MolecularWeight
316.3948
MdlNumber
MFCD19442515
Smiles
O=C(N1CCC2(C1)C(=O)NCC2c1ccccc1)OC(C)(C)C
Complexity
479
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.9
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CatalogNumber: AI29108
ChemicalName: 6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester
CasNumber: 1290627-02-9
MolecularFormula: C18H24N2O3
MolecularWeight: 316.3948
MdlNumber: MFCD19442515
Smiles: O=C(N1CCC2(C1)C(=O)NCC2c1ccccc1)OC(C)(C)C
Complexity: 479
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.9
CatalogNumber:
AI29108
ChemicalName:
6-Oxo-9-phenyl-2,7-diaza-spiro[4.4]nonane-2-carboxylic acid tert-butyl ester
CasNumber:
1290627-02-9
MolecularFormula:
C18H24N2O3
MolecularWeight:
316.3948
MdlNumber:
MFCD19442515
Smiles:
O=C(N1CCC2(C1)C(=O)NCC2c1ccccc1)OC(C)(C)C
Complexity:
479
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.9
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MolecularWeight: __
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Smiles: Cc1ccc(cc1)S(=O)(=O)N1CC2=C(C1)[C@@H]1CNS(=O)(=O)[C@@H]1CC2
Complexity: __
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Smiles:
Cc1ccc(cc1)S(=O)(=O)N1CC2=C(C1)[C@@H]1CNS(=O)(=O)[C@@H]1CC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(N1C[C@H]2C[C@H]([C@@H](C1)O2)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@H]2C[C@H]([C@@H](C1)O2)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__