AE37779
1256643-30-7 | tert-Butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE37779
ChemicalName
tert-Butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CasNumber
1256643-30-7
MolecularFormula
C13H23N3O3
MolecularWeight
269.34002
MdlNumber
MFCD18381925
Smiles
O=C(N1CCC2(CC1)NCCNC2=O)OC(C)(C)C
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AE37779
ChemicalName: tert-Butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CasNumber: 1256643-30-7
MolecularFormula: C13H23N3O3
MolecularWeight: 269.34002
MdlNumber: MFCD18381925
Smiles: O=C(N1CCC2(CC1)NCCNC2=O)OC(C)(C)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AE37779
ChemicalName:
tert-Butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CasNumber:
1256643-30-7
MolecularFormula:
C13H23N3O3
MolecularWeight:
269.34002
MdlNumber:
MFCD18381925
Smiles:
O=C(N1CCC2(CC1)NCCNC2=O)OC(C)(C)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.1
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Smiles: CC(=O)c1cc(Br)c(=O)[nH]c1C
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Smiles:
CC(=O)c1cc(Br)c(=O)[nH]c1C
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Smiles: NCCC(=O)Nc1cccc2c1cccc2
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NCCC(=O)Nc1cccc2c1cccc2
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Smiles: O=C1CCc2c(N1)c(N)cc(c2)F
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1CCc2c(N1)c(N)cc(c2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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