AD21927
22785-43-9 | (S)-(2,6-Dioxo-piperidin-3-yl)-carbamic acid benzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD21927
ChemicalName
(S)-(2,6-Dioxo-piperidin-3-yl)-carbamic acid benzyl ester
CasNumber
22785-43-9
MolecularFormula
C13H14N2O4
MolecularWeight
262.2613
MdlNumber
MFCD09878852
Smiles
O=C(N[C@H]1CCC(=O)NC1=O)OCc1ccccc1
Complexity
364
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AD21927
ChemicalName: (S)-(2,6-Dioxo-piperidin-3-yl)-carbamic acid benzyl ester
CasNumber: 22785-43-9
MolecularFormula: C13H14N2O4
MolecularWeight: 262.2613
MdlNumber: MFCD09878852
Smiles: O=C(N[C@H]1CCC(=O)NC1=O)OCc1ccccc1
Complexity: 364
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AD21927
ChemicalName:
(S)-(2,6-Dioxo-piperidin-3-yl)-carbamic acid benzyl ester
CasNumber:
22785-43-9
MolecularFormula:
C13H14N2O4
MolecularWeight:
262.2613
MdlNumber:
MFCD09878852
Smiles:
O=C(N[C@H]1CCC(=O)NC1=O)OCc1ccccc1
Complexity:
364
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.7
CatalogNumber: __
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Smiles: O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1cc2)c1c(=O)c2ccc4c5c2c(c1cc3)ccc5n1c2c4ccc3c2c(n1)c1ccccc1c3=O
Complexity: __
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Smiles:
O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1cc2)c1c(=O)c2ccc4c5c2c(c1cc3)ccc5n1c2c4ccc3c2c(n1)c1ccccc1c3=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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__
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Smiles: Cn1c(=O)n(C)c2c(c1=O)nn[nH]2
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Smiles:
Cn1c(=O)n(C)c2c(c1=O)nn[nH]2
Complexity:
__
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__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: Fc1cccc(c1Nc1ccccn1)F
Complexity: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
Fc1cccc(c1Nc1ccccn1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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