AA35862
126150-97-8 | Bapta-am
Manufacturer: A2B Chem
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CatalogNumber
AA35862
ChemicalName
Bapta-am
CasNumber
126150-97-8
MolecularFormula
C34H40N2O18
MolecularWeight
764.684
MdlNumber
MFCD00036696
Smiles
O=C(CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCOC(=O)C
Complexity
1100
Covalently-bondedUnitCount
1
HeavyAtomCount
54
HydrogenBondAcceptorCount
20
RotatableBondCount
31
Xlogp3
3.4
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CatalogNumber: AA35862
ChemicalName: Bapta-am
CasNumber: 126150-97-8
MolecularFormula: C34H40N2O18
MolecularWeight: 764.684
MdlNumber: MFCD00036696
Smiles: O=C(CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCOC(=O)C
Complexity: 1100
Covalently-bondedUnitCount: 1
HeavyAtomCount: 54
HydrogenBondAcceptorCount: 20
RotatableBondCount: 31
Xlogp3: 3.4
CatalogNumber:
AA35862
ChemicalName:
Bapta-am
CasNumber:
126150-97-8
MolecularFormula:
C34H40N2O18
MolecularWeight:
764.684
MdlNumber:
MFCD00036696
Smiles:
O=C(CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCOC(=O)C
Complexity:
1100
Covalently-bondedUnitCount:
1
HeavyAtomCount:
54
HydrogenBondAcceptorCount:
20
RotatableBondCount:
31
Xlogp3:
3.4
CatalogNumber: __
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Smiles: CS(=O)(=O)Oc1ccc(cc1)OS(=O)(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CS(=O)(=O)Oc1ccc(cc1)OS(=O)(=O)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOP(=O)(Cc1ccc(cc1)N(c1ccccc1)c1ccccc1)OCC
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MolecularFormula:
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Smiles:
CCOP(=O)(Cc1ccc(cc1)N(c1ccccc1)c1ccccc1)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cccc(c1N)CC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COc1cccc(c1N)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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