AD95423
849928-22-9 | 4-Oxo-2-spiro(n-boc-piperidine-4-yl)-benzopyran
Manufacturer: A2B Chem
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CatalogNumber
AD95423
ChemicalName
4-Oxo-2-spiro(n-boc-piperidine-4-yl)-benzopyran
CasNumber
849928-22-9
MolecularFormula
C18H23NO4
MolecularWeight
317.3795
MdlNumber
MFCD05861626
Smiles
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cccc1)OC(C)(C)C
Complexity
474
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AD95423
ChemicalName: 4-Oxo-2-spiro(n-boc-piperidine-4-yl)-benzopyran
CasNumber: 849928-22-9
MolecularFormula: C18H23NO4
MolecularWeight: 317.3795
MdlNumber: MFCD05861626
Smiles: O=C(N1CCC2(CC1)CC(=O)c1c(O2)cccc1)OC(C)(C)C
Complexity: 474
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AD95423
ChemicalName:
4-Oxo-2-spiro(n-boc-piperidine-4-yl)-benzopyran
CasNumber:
849928-22-9
MolecularFormula:
C18H23NO4
MolecularWeight:
317.3795
MdlNumber:
MFCD05861626
Smiles:
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cccc1)OC(C)(C)C
Complexity:
474
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)CCCc1onc(n1)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)CCCc1onc(n1)c1cccs1
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
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Smiles:
CCCCCCCCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Complexity:
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Smiles: NCCP(=O)O
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Smiles:
NCCP(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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