AI36260
1453315-68-8 | tert-Butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI36260
ChemicalName
tert-Butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber
1453315-68-8
MolecularFormula
C11H17NO3S
MolecularWeight
243.32257999999996
MdlNumber
MFCD27664878
Smiles
O=C(N1CC2(C1)SCC(=O)C2)OC(C)(C)C
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AI36260
ChemicalName: tert-Butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber: 1453315-68-8
MolecularFormula: C11H17NO3S
MolecularWeight: 243.32257999999996
MdlNumber: MFCD27664878
Smiles: O=C(N1CC2(C1)SCC(=O)C2)OC(C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AI36260
ChemicalName:
tert-Butyl 7-oxo-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber:
1453315-68-8
MolecularFormula:
C11H17NO3S
MolecularWeight:
243.32257999999996
MdlNumber:
MFCD27664878
Smiles:
O=C(N1CC2(C1)SCC(=O)C2)OC(C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: AI36261
ChemicalName: tert-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber: 1453315-70-2
MolecularFormula: C11H19NO3S
MolecularWeight: 245.3385
MdlNumber: MFCD27664877
Smiles: OC1CSC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AI36261
ChemicalName:
tert-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber:
1453315-70-2
MolecularFormula:
C11H19NO3S
MolecularWeight:
245.3385
MdlNumber:
MFCD27664877
Smiles:
OC1CSC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AI36262
ChemicalName: 2-tert-Butyl 8-ethyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2,8-dicarboxylate
CasNumber: 1453315-80-4
MolecularFormula: C14H21NO6
MolecularWeight: 299.3196
MdlNumber: MFCD27997303
Smiles: CCOC(=O)C1C(=O)COC21CN(C2)C(=O)OC(C)(C)C
Complexity: 461
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 0.7
CatalogNumber:
AI36262
ChemicalName:
2-tert-Butyl 8-ethyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2,8-dicarboxylate
CasNumber:
1453315-80-4
MolecularFormula:
C14H21NO6
MolecularWeight:
299.3196
MdlNumber:
MFCD27997303
Smiles:
CCOC(=O)C1C(=O)COC21CN(C2)C(=O)OC(C)(C)C
Complexity:
461
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
0.7
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Smiles: COC1=CCOC21CN(C2)C(=O)OC(C)(C)C
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Smiles:
COC1=CCOC21CN(C2)C(=O)OC(C)(C)C
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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