AE33059
139481-41-7 | Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE33059
ChemicalName
Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
CasNumber
139481-41-7
MolecularFormula
C26H23N3O3
MolecularWeight
425.4791
MdlNumber
MFCD09030636
Smiles
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)c(ccc2)C(=O)OCC
Complexity
669
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
5
RotatableBondCount
8
Xlogp3
5.3
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CatalogNumber: AE33059
ChemicalName: Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
CasNumber: 139481-41-7
MolecularFormula: C26H23N3O3
MolecularWeight: 425.4791
MdlNumber: MFCD09030636
Smiles: CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)c(ccc2)C(=O)OCC
Complexity: 669
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 5
RotatableBondCount: 8
Xlogp3: 5.3
CatalogNumber:
AE33059
ChemicalName:
Ethyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate
CasNumber:
139481-41-7
MolecularFormula:
C26H23N3O3
MolecularWeight:
425.4791
MdlNumber:
MFCD09030636
Smiles:
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1C#N)c(ccc2)C(=O)OCC
Complexity:
669
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
5
RotatableBondCount:
8
Xlogp3:
5.3
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Smiles: CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl
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Smiles:
CC1CCN(CC1NC)CC2=CC=CC=C2.Cl.Cl
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Smiles: CCCCOCCOC(=O)C1=CN=CC=C1
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CCCCOCCOC(=O)C1=CN=CC=C1
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__
HydrogenBondAcceptorCount:
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Smiles: O=C(C(F)(F)F)O[Hg]OC(=O)C(F)(F)F
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__
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Smiles:
O=C(C(F)(F)F)O[Hg]OC(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__