AG34304
459817-82-4 | 2,2-Dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG34304
ChemicalName
2,2-Dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester
CasNumber
459817-82-4
MolecularFormula
C7H13NO5S
MolecularWeight
223.2468
MdlNumber
MFCD20527196
Smiles
O=C(N1CCOS1(=O)=O)OC(C)(C)C
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AG34304
ChemicalName: 2,2-Dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester
CasNumber: 459817-82-4
MolecularFormula: C7H13NO5S
MolecularWeight: 223.2468
MdlNumber: MFCD20527196
Smiles: O=C(N1CCOS1(=O)=O)OC(C)(C)C
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AG34304
ChemicalName:
2,2-Dioxo-[1,2,3]oxathiazolidine-3-carboxylic acid tert-butyl ester
CasNumber:
459817-82-4
MolecularFormula:
C7H13NO5S
MolecularWeight:
223.2468
MdlNumber:
MFCD20527196
Smiles:
O=C(N1CCOS1(=O)=O)OC(C)(C)C
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.5
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Smiles: CCCCN1C=CN(C1)CCCCS(=O)(=O)O
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Smiles:
CCCCN1C=CN(C1)CCCCS(=O)(=O)O
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Smiles: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
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Smiles:
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1ccc(s1)c1ccc(s1)c1ccc(s1)c1ccc(s1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
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Smiles: Nc1nc(=O)c2c([nH]1)n(C)cn2
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Smiles:
Nc1nc(=O)c2c([nH]1)n(C)cn2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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