AX06746
1958100-53-2 | tert-Butyl ((1R,2R)-2-((4-bromobenzyl)oxy)cyclohexyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AX06746
ChemicalName
tert-Butyl ((1R,2R)-2-((4-bromobenzyl)oxy)cyclohexyl)carbamate
CasNumber
1958100-53-2
MolecularFormula
C18H26BrNO3
MolecularWeight
384.3079
MdlNumber
MFCD29059416
Smiles
O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1OCc1ccc(cc1)Br
Complexity
375
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
23
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
4.3
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CatalogNumber: AX06746
ChemicalName: tert-Butyl ((1R,2R)-2-((4-bromobenzyl)oxy)cyclohexyl)carbamate
CasNumber: 1958100-53-2
MolecularFormula: C18H26BrNO3
MolecularWeight: 384.3079
MdlNumber: MFCD29059416
Smiles: O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1OCc1ccc(cc1)Br
Complexity: 375
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4.3
CatalogNumber:
AX06746
ChemicalName:
tert-Butyl ((1R,2R)-2-((4-bromobenzyl)oxy)cyclohexyl)carbamate
CasNumber:
1958100-53-2
MolecularFormula:
C18H26BrNO3
MolecularWeight:
384.3079
MdlNumber:
MFCD29059416
Smiles:
O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1OCc1ccc(cc1)Br
Complexity:
375
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4.3
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Smiles: COc1cc(/C=C/2c3ccc(cc3C(=C2C)CC(=O)O)F)cc(c1OC)OC
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Smiles:
COc1cc(/C=C/2c3ccc(cc3C(=C2C)CC(=O)O)F)cc(c1OC)OC
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Smiles: COc1ccc(cc1OC)CCNCCCCCCNCCc1ccccc1
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Smiles:
COc1ccc(cc1OC)CCNCCCCCCNCCc1ccccc1
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Smiles: O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl
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Smiles:
O=C(Nc1c(C(C)C)n(n(c1=O)c1ccccc1)C)Nc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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