AI08239
111025-46-8 | 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AI08239
ChemicalName
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
CasNumber
111025-46-8
MolecularFormula
C19H20N2O3S
MolecularWeight
356.4387
MdlNumber
MFCD00865504
Smiles
CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O
NscNumber
758876
Complexity
466
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
3.8
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CatalogNumber: AI08239
ChemicalName: 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
CasNumber: 111025-46-8
MolecularFormula: C19H20N2O3S
MolecularWeight: 356.4387
MdlNumber: MFCD00865504
Smiles: CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O
NscNumber: 758876
Complexity: 466
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.8
CatalogNumber:
AI08239
ChemicalName:
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
CasNumber:
111025-46-8
MolecularFormula:
C19H20N2O3S
MolecularWeight:
356.4387
MdlNumber:
MFCD00865504
Smiles:
CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O
NscNumber:
758876
Complexity:
466
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.8
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Smiles: S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C
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S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C
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Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N=C=S
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Smiles:
CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N=C=S
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
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__
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Smiles: NC(=N)SCc1ccc(cc1)Br.Br
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)SCc1ccc(cc1)Br.Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__