AI29667
1310381-23-7 | tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI29667
ChemicalName
tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber
1310381-23-7
MolecularFormula
C15H23F3N2O3
MolecularWeight
336.3499
MdlNumber
MFCD19442323
Smiles
O=C1NCC2(C(C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity
477
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AI29667
ChemicalName: tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber: 1310381-23-7
MolecularFormula: C15H23F3N2O3
MolecularWeight: 336.3499
MdlNumber: MFCD19442323
Smiles: O=C1NCC2(C(C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 477
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AI29667
ChemicalName:
tert-Butyl 3-oxo-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CasNumber:
1310381-23-7
MolecularFormula:
C15H23F3N2O3
MolecularWeight:
336.3499
MdlNumber:
MFCD19442323
Smiles:
O=C1NCC2(C(C1)C(F)(F)F)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
477
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
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Smiles: O=C(N1CCN(CC1)C(=O)OC(C)(C)C)CC1(N)CCCCC1
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O=C(N1CCN(CC1)C(=O)OC(C)(C)C)CC1(N)CCCCC1
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Smiles: N[C@H]1CN2C[C@H]1N(CC2)C(=O)OC(C)(C)C
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__
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__
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__
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__
MdlNumber:
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Smiles:
N[C@H]1CN2C[C@H]1N(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__