AI13481
1209780-33-5 | 4-Fluoro-5-hydroxy-azepane-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI13481
ChemicalName
4-Fluoro-5-hydroxy-azepane-1-carboxylic acid tert-butyl ester
CasNumber
1209780-33-5
MolecularFormula
C11H20FNO3
MolecularWeight
233.2798
MdlNumber
MFCD16250807
Smiles
OC1CCN(CCC1F)C(=O)OC(C)(C)C
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.4
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CatalogNumber: AI13481
ChemicalName: 4-Fluoro-5-hydroxy-azepane-1-carboxylic acid tert-butyl ester
CasNumber: 1209780-33-5
MolecularFormula: C11H20FNO3
MolecularWeight: 233.2798
MdlNumber: MFCD16250807
Smiles: OC1CCN(CCC1F)C(=O)OC(C)(C)C
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.4
CatalogNumber:
AI13481
ChemicalName:
4-Fluoro-5-hydroxy-azepane-1-carboxylic acid tert-butyl ester
CasNumber:
1209780-33-5
MolecularFormula:
C11H20FNO3
MolecularWeight:
233.2798
MdlNumber:
MFCD16250807
Smiles:
OC1CCN(CCC1F)C(=O)OC(C)(C)C
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCCN(CC1F)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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Smiles:
OC1CCCN(CC1F)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O[C@H]1CCN(C[C@@H]1F)C(=O)OCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O[C@H]1CCN(C[C@@H]1F)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Clc1cc(cc2c1[nH]c(n2)C(F)(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1cc(cc2c1[nH]c(n2)C(F)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__