AA18421
117499-16-8 | 1,7-Bis-boc-1,4,7-triazaheptane
Manufacturer: A2B Chem
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CatalogNumber
AA18421
ChemicalName
1,7-Bis-boc-1,4,7-triazaheptane
CasNumber
117499-16-8
MolecularFormula
C14H29N3O4
MolecularWeight
303.39776
MdlNumber
MFCD11226825
Smiles
O=C(OC(C)(C)C)NCCNCCNC(=O)OC(C)(C)C
Complexity
300
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
10
Xlogp3
1.2
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CatalogNumber: AA18421
ChemicalName: 1,7-Bis-boc-1,4,7-triazaheptane
CasNumber: 117499-16-8
MolecularFormula: C14H29N3O4
MolecularWeight: 303.39776
MdlNumber: MFCD11226825
Smiles: O=C(OC(C)(C)C)NCCNCCNC(=O)OC(C)(C)C
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 10
Xlogp3: 1.2
CatalogNumber:
AA18421
ChemicalName:
1,7-Bis-boc-1,4,7-triazaheptane
CasNumber:
117499-16-8
MolecularFormula:
C14H29N3O4
MolecularWeight:
303.39776
MdlNumber:
MFCD11226825
Smiles:
O=C(OC(C)(C)C)NCCNCCNC(=O)OC(C)(C)C
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
10
Xlogp3:
1.2
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Smiles: O=c1[nH]c(=O)n(c2c1n(cn2)C([2H])([2H])[2H])C([2H])([2H])[2H]
Complexity: __
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RotatableBondCount: __
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Smiles:
O=c1[nH]c(=O)n(c2c1n(cn2)C([2H])([2H])[2H])C([2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)c1cc(Cc2cc(C(=O)O)c(c3c2cccc3)O)c2c(c1O)cccc2
Complexity: __
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Smiles:
OC(=O)c1cc(Cc2cc(C(=O)O)c(c3c2cccc3)O)c2c(c1O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)c1c[nH]c(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)c1c[nH]c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__