AI57226
85233-19-8 | Bapta
Manufacturer: A2B Chem
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CatalogNumber
AI57226
ChemicalName
Bapta
CasNumber
85233-19-8
MolecularFormula
C22H24N2O10
MolecularWeight
476.4334
MdlNumber
MFCD00036255
Smiles
OC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O)CC(=O)O
Complexity
613
Covalently-bondedUnitCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
4
RotatableBondCount
15
Xlogp3
2.2
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CatalogNumber: AI57226
ChemicalName: Bapta
CasNumber: 85233-19-8
MolecularFormula: C22H24N2O10
MolecularWeight: 476.4334
MdlNumber: MFCD00036255
Smiles: OC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O)CC(=O)O
Complexity: 613
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 4
RotatableBondCount: 15
Xlogp3: 2.2
CatalogNumber:
AI57226
ChemicalName:
Bapta
CasNumber:
85233-19-8
MolecularFormula:
C22H24N2O10
MolecularWeight:
476.4334
MdlNumber:
MFCD00036255
Smiles:
OC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O)CC(=O)O
Complexity:
613
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
4
RotatableBondCount:
15
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)c1cc(nc2c1sc(n2)N1CCCCC1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)c1cc(nc2c1sc(n2)N1CCCCC1)c1ccccc1
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: NNC(=O)c1cncn1c1ccccc1
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Smiles:
NNC(=O)c1cncn1c1ccccc1
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RotatableBondCount:
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ChemicalName: __
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Smiles: N#Cc1cc2OCCOc2c(c1)Cl
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc2OCCOc2c(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__