AA22381
1159982-58-7 | tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA22381
ChemicalName
tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate
CasNumber
1159982-58-7
MolecularFormula
C21H30N2O3
MolecularWeight
358.4745
MdlNumber
MFCD11840381
Smiles
O=C(N1CCC(=O)C2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Complexity
512
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AA22381
ChemicalName: tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate
CasNumber: 1159982-58-7
MolecularFormula: C21H30N2O3
MolecularWeight: 358.4745
MdlNumber: MFCD11840381
Smiles: O=C(N1CCC(=O)C2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Complexity: 512
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA22381
ChemicalName:
tert-Butyl 9-benzyl-5-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate
CasNumber:
1159982-58-7
MolecularFormula:
C21H30N2O3
MolecularWeight:
358.4745
MdlNumber:
MFCD11840381
Smiles:
O=C(N1CCC(=O)C2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Complexity:
512
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.4
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Smiles: CCOC(=O)C1=CCCN(C1)Cc1ccccc1
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Smiles:
CCOC(=O)C1=CCCN(C1)Cc1ccccc1
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Smiles: O=C(c1nn(c2c1ccc(n2)F)C)OC(C)(C)C
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O=C(c1nn(c2c1ccc(n2)F)C)OC(C)(C)C
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: COC(=O)c1cc2c([nH]1)nccc2Br
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Smiles:
COC(=O)c1cc2c([nH]1)nccc2Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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