AA68194
141642-82-2 | Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA68194
ChemicalName
Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate
CasNumber
141642-82-2
MolecularFormula
C14H23NO5
MolecularWeight
285.3361
MdlNumber
MFCD03788451
Smiles
CCOC(=O)C1CCN(CCC1=O)C(=O)OC(C)(C)C
Complexity
386
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AA68194
ChemicalName: Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate
CasNumber: 141642-82-2
MolecularFormula: C14H23NO5
MolecularWeight: 285.3361
MdlNumber: MFCD03788451
Smiles: CCOC(=O)C1CCN(CCC1=O)C(=O)OC(C)(C)C
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AA68194
ChemicalName:
Ethyl 1-Boc-5-oxo-hexahydro-1H-azepine-4-carboxylate
CasNumber:
141642-82-2
MolecularFormula:
C14H23NO5
MolecularWeight:
285.3361
MdlNumber:
MFCD03788451
Smiles:
CCOC(=O)C1CCN(CCC1=O)C(=O)OC(C)(C)C
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
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Smiles: Cc1cc(C)nc(n1)c1ccccc1
Complexity: __
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Smiles:
Cc1cc(C)nc(n1)c1ccccc1
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Smiles: Brc1ccc2c(c1)nccc2C(=O)C
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Brc1ccc2c(c1)nccc2C(=O)C
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Smiles: OCC1CNCC(O1)(C)C.Cl
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Smiles:
OCC1CNCC(O1)(C)C.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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