AB51761
951127-25-6 | tert-Butyl ((2r,3s)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2h-pyran-3-yl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AB51761
ChemicalName
tert-Butyl ((2r,3s)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2h-pyran-3-yl)carbamate
CasNumber
951127-25-6
MolecularFormula
C16H19F2NO4
MolecularWeight
327.3232
MdlNumber
MFCD20926096
Smiles
O=C1CO[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)c1cc(F)ccc1F
Complexity
452
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AB51761
ChemicalName: tert-Butyl ((2r,3s)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2h-pyran-3-yl)carbamate
CasNumber: 951127-25-6
MolecularFormula: C16H19F2NO4
MolecularWeight: 327.3232
MdlNumber: MFCD20926096
Smiles: O=C1CO[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)c1cc(F)ccc1F
Complexity: 452
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AB51761
ChemicalName:
tert-Butyl ((2r,3s)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2h-pyran-3-yl)carbamate
CasNumber:
951127-25-6
MolecularFormula:
C16H19F2NO4
MolecularWeight:
327.3232
MdlNumber:
MFCD20926096
Smiles:
O=C1CO[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)c1cc(F)ccc1F
Complexity:
452
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
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Smiles: CCC(C1(C)COC(OC1)C1CCC(=CC1C)C)C
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Smiles:
CCC(C1(C)COC(OC1)C1CCC(=CC1C)C)C
Complexity:
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Smiles: OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=Cc1noc(n1)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1noc(n1)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__