AA34475
1260150-04-6 | 1-BOC-1,2,3,4-Tetrahydroquinoline-6-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA34475
ChemicalName
1-BOC-1,2,3,4-Tetrahydroquinoline-6-boronic acid
CasNumber
1260150-04-6
MolecularFormula
C42H60B3N3O12
MolecularWeight
831.3717
MdlNumber
MFCD06801709
Smiles
O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C
Complexity
356
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AA34475
ChemicalName: 1-BOC-1,2,3,4-Tetrahydroquinoline-6-boronic acid
CasNumber: 1260150-04-6
MolecularFormula: C42H60B3N3O12
MolecularWeight: 831.3717
MdlNumber: MFCD06801709
Smiles: O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA34475
ChemicalName:
1-BOC-1,2,3,4-Tetrahydroquinoline-6-boronic acid
CasNumber:
1260150-04-6
MolecularFormula:
C42H60B3N3O12
MolecularWeight:
831.3717
MdlNumber:
MFCD06801709
Smiles:
O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C.O=C(N1CCCc2c1ccc(c2)B(O)O)OC(C)(C)C
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AA34476
ChemicalName: TAK-438
CasNumber: 1260141-27-2
MolecularFormula: C21H20FN3O6S
MolecularWeight: 461.46340319999996
MdlNumber: MFCD18633280
Smiles: OC(=O)C=CC(=O)O.CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Complexity: 629
Covalently-bondedUnitCount: 2
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 7
CatalogNumber:
AA34476
ChemicalName:
TAK-438
CasNumber:
1260141-27-2
MolecularFormula:
C21H20FN3O6S
MolecularWeight:
461.46340319999996
MdlNumber:
MFCD18633280
Smiles:
OC(=O)C=CC(=O)O.CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Complexity:
629
Covalently-bondedUnitCount:
2
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
7
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Smiles: BrCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
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Smiles:
BrCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
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Smiles: CCOC(=O)c1sc2c(c1)c(C)ccc2
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Smiles:
CCOC(=O)c1sc2c(c1)c(C)ccc2
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