AD37151
170791-09-0 | 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD37151
ChemicalName
1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate
CasNumber
170791-09-0
MolecularFormula
C52H48N6O6
MolecularWeight
852.9741
MdlNumber
MFCD07781274
Smiles
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
Complexity
1410
Covalently-bondedUnitCount
1
HeavyAtomCount
64
HydrogenBondAcceptorCount
10
RotatableBondCount
17
UndefinedAtomStereocenterCount
1
Xlogp3
11.9
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CatalogNumber: AD37151
ChemicalName: 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate
CasNumber: 170791-09-0
MolecularFormula: C52H48N6O6
MolecularWeight: 852.9741
MdlNumber: MFCD07781274
Smiles: CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
Complexity: 1410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 64
HydrogenBondAcceptorCount: 10
RotatableBondCount: 17
UndefinedAtomStereocenterCount: 1
Xlogp3: 11.9
CatalogNumber:
AD37151
ChemicalName:
1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate
CasNumber:
170791-09-0
MolecularFormula:
C52H48N6O6
MolecularWeight:
852.9741
MdlNumber:
MFCD07781274
Smiles:
CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C
Complexity:
1410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
64
HydrogenBondAcceptorCount:
10
RotatableBondCount:
17
UndefinedAtomStereocenterCount:
1
Xlogp3:
11.9
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Smiles: N#CC1(CC1)c1cccnc1
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Smiles:
N#CC1(CC1)c1cccnc1
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Smiles: C=CCNC(=S)Nc1cccc2c1cccc2
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C=CCNC(=S)Nc1cccc2c1cccc2
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Smiles: CCCCc1ccc(nc1)C(=O)OC
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Smiles:
CCCCc1ccc(nc1)C(=O)OC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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