AA55333
1221448-69-6 | (4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA55333
ChemicalName
(4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid
CasNumber
1221448-69-6
MolecularFormula
C22H26BNO4
MolecularWeight
379.2571
MdlNumber
MFCD21609545
Smiles
O=C(N1CCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Complexity
339
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
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CatalogNumber: AA55333
ChemicalName: (4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid
CasNumber: 1221448-69-6
MolecularFormula: C22H26BNO4
MolecularWeight: 379.2571
MdlNumber: MFCD21609545
Smiles: O=C(N1CCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
CatalogNumber:
AA55333
ChemicalName:
(4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid
CasNumber:
1221448-69-6
MolecularFormula:
C22H26BNO4
MolecularWeight:
379.2571
MdlNumber:
MFCD21609545
Smiles:
O=C(N1CCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
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Smiles: OB(c1ccccc1SCc1ccccc1)O
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Smiles:
OB(c1ccccc1SCc1ccccc1)O
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N[C@@H]1CCOc2c1cccc2C(C)(C)C
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Smiles:
N[C@@H]1CCOc2c1cccc2C(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N[C@H]1CCCC[C@@H]1N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N[C@H]1CCCC[C@@H]1N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__