AA50115
137076-54-1 | Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
Manufacturer: A2B Chem
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CatalogNumber
AA50115
ChemicalName
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
CasNumber
137076-54-1
MolecularFormula
C28H52N4O8
MolecularWeight
572.7345
MdlNumber
MFCD02259697
Smiles
OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity
799
Covalently-bondedUnitCount
1
HeavyAtomCount
40
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
1
RotatableBondCount
14
Xlogp3
0.2
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CatalogNumber: AA50115
ChemicalName: Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
CasNumber: 137076-54-1
MolecularFormula: C28H52N4O8
MolecularWeight: 572.7345
MdlNumber: MFCD02259697
Smiles: OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity: 799
Covalently-bondedUnitCount: 1
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 1
RotatableBondCount: 14
Xlogp3: 0.2
CatalogNumber:
AA50115
ChemicalName:
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
CasNumber:
137076-54-1
MolecularFormula:
C28H52N4O8
MolecularWeight:
572.7345
MdlNumber:
MFCD02259697
Smiles:
OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity:
799
Covalently-bondedUnitCount:
1
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
1
RotatableBondCount:
14
Xlogp3:
0.2
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Smiles: CCOC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
Complexity: __
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Smiles:
CCOC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: ClCC(=O)NCCC(c1ccccc1)c1ccccc1
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Smiles:
ClCC(=O)NCCC(c1ccccc1)c1ccccc1
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Smiles: OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(O)c2c(c3)oc(cc2=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(O)c2c(c3)oc(cc2=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__