AB53432
851314-56-2 | Ethyl 1-benzyl-5,5-difluoro-4-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB53432
ChemicalName
Ethyl 1-benzyl-5,5-difluoro-4-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate
CasNumber
851314-56-2
MolecularFormula
C15H17F2NO3
MolecularWeight
297.2972
MdlNumber
MFCD21608040
Smiles
CCOC(=O)C1=C(O)C(CN(C1)Cc1ccccc1)(F)F
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.5
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CatalogNumber: AB53432
ChemicalName: Ethyl 1-benzyl-5,5-difluoro-4-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate
CasNumber: 851314-56-2
MolecularFormula: C15H17F2NO3
MolecularWeight: 297.2972
MdlNumber: MFCD21608040
Smiles: CCOC(=O)C1=C(O)C(CN(C1)Cc1ccccc1)(F)F
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AB53432
ChemicalName:
Ethyl 1-benzyl-5,5-difluoro-4-hydroxy-1,2,5,6-tetrahydropyridine-3-carboxylate
CasNumber:
851314-56-2
MolecularFormula:
C15H17F2NO3
MolecularWeight:
297.2972
MdlNumber:
MFCD21608040
Smiles:
CCOC(=O)C1=C(O)C(CN(C1)Cc1ccccc1)(F)F
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.5
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Smiles: BrCCCCCCCOCC#C
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Smiles:
BrCCCCCCCOCC#C
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Smiles: OS(=O)(=O)O.COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(CC2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1
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Smiles:
OS(=O)(=O)O.COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(CC2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1
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RotatableBondCount:
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Smiles: Fc1ccc(cc1)CC1CCCN(C1)C(=O)OC(C)(C)C
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Smiles:
Fc1ccc(cc1)CC1CCCN(C1)C(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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