AE76423
130194-96-6 | (1S,3S,4R)-Methyl 2-((R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE76423
ChemicalName
(1S,3S,4R)-Methyl 2-((R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CasNumber
130194-96-6
MolecularFormula
C17H23NO2
MolecularWeight
273.37
MdlNumber
MFCD28404584
Smiles
CCOC(=O)[C@@H]1[C@@H]2CC[C@H](N1[C@@H](c1ccccc1)C)C2
Complexity
373
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2.8
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CatalogNumber: AE76423
ChemicalName: (1S,3S,4R)-Methyl 2-((R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CasNumber: 130194-96-6
MolecularFormula: C17H23NO2
MolecularWeight: 273.37
MdlNumber: MFCD28404584
Smiles: CCOC(=O)[C@@H]1[C@@H]2CC[C@H](N1[C@@H](c1ccccc1)C)C2
Complexity: 373
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.8
CatalogNumber:
AE76423
ChemicalName:
(1S,3S,4R)-Methyl 2-((R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CasNumber:
130194-96-6
MolecularFormula:
C17H23NO2
MolecularWeight:
273.37
MdlNumber:
MFCD28404584
Smiles:
CCOC(=O)[C@@H]1[C@@H]2CC[C@H](N1[C@@H](c1ccccc1)C)C2
Complexity:
373
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.8
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Smiles: [O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Au+]
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[O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Au+]
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Smiles: COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)ccs2.Cl
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Smiles:
COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)ccs2.Cl
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Smiles: OCCOCC(COCCO)(COCCO)COCCO.CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.OCCO
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Smiles:
OCCOCC(COCCO)(COCCO)COCCO.CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.OCCO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__