AE60835
1340481-80-2 | 2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AE60835
ChemicalName
2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide
CasNumber
1340481-80-2
MolecularFormula
C13H21NO6S
MolecularWeight
319.3739
MdlNumber
MFCD22370063
Smiles
COC(=O)C1CCS(=O)(=O)C21CN(C2)C(=O)OC(C)(C)C
Complexity
550
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.1
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CatalogNumber: AE60835
ChemicalName: 2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide
CasNumber: 1340481-80-2
MolecularFormula: C13H21NO6S
MolecularWeight: 319.3739
MdlNumber: MFCD22370063
Smiles: COC(=O)C1CCS(=O)(=O)C21CN(C2)C(=O)OC(C)(C)C
Complexity: 550
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.1
CatalogNumber:
AE60835
ChemicalName:
2-tert-Butyl 8-methyl 5-thia-2-azaspiro[3.4]octane-2,8-dicarboxylate 5,5-dioxide
CasNumber:
1340481-80-2
MolecularFormula:
C13H21NO6S
MolecularWeight:
319.3739
MdlNumber:
MFCD22370063
Smiles:
COC(=O)C1CCS(=O)(=O)C21CN(C2)C(=O)OC(C)(C)C
Complexity:
550
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.1
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Smiles: FC(c1ncccc1B1OC(C(O1)(C)C)(C)C)(F)F
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Smiles:
FC(c1ncccc1B1OC(C(O1)(C)C)(C)C)(F)F
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Smiles: Fc1c(OC2CNC2)cccc1F
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Smiles:
Fc1c(OC2CNC2)cccc1F
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RotatableBondCount:
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Smiles: Fc1ccc(c(c1)F)OC1CNC1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1ccc(c(c1)F)OC1CNC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__