AI32957
1373029-18-5 | tert-Butyl 8-(hydroxymethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AI32957
ChemicalName
tert-Butyl 8-(hydroxymethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide
CasNumber
1373029-18-5
MolecularFormula
C12H21NO5S
MolecularWeight
291.3638
MdlNumber
MFCD22209757
Smiles
OCC1CCS(=O)(=O)C21CN(C2)C(=O)OC(C)(C)C
Complexity
467
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AI32957
ChemicalName: tert-Butyl 8-(hydroxymethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide
CasNumber: 1373029-18-5
MolecularFormula: C12H21NO5S
MolecularWeight: 291.3638
MdlNumber: MFCD22209757
Smiles: OCC1CCS(=O)(=O)C21CN(C2)C(=O)OC(C)(C)C
Complexity: 467
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AI32957
ChemicalName:
tert-Butyl 8-(hydroxymethyl)-5-thia-2-azaspiro[3.4]octane-2-carboxylate 5,5-dioxide
CasNumber:
1373029-18-5
MolecularFormula:
C12H21NO5S
MolecularWeight:
291.3638
MdlNumber:
MFCD22209757
Smiles:
OCC1CCS(=O)(=O)C21CN(C2)C(=O)OC(C)(C)C
Complexity:
467
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
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Smiles: COC(=O)c1ccc2c(c1)C1(CCCN(C1)C(=O)OC(C)(C)C)CN2
Complexity: __
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Smiles:
COC(=O)c1ccc2c(c1)C1(CCCN(C1)C(=O)OC(C)(C)C)CN2
Complexity:
__
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HeavyAtomCount:
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Smiles: FC(C1CNCC1C1(CC1)NC(=O)OC(C)(C)C)F
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Smiles:
FC(C1CNCC1C1(CC1)NC(=O)OC(C)(C)C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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Smiles: CC1=CC=CN2C1=NC=C2C(C)N.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC=CN2C1=NC=C2C(C)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__