AA34476
1260141-27-2 | TAK-438
Manufacturer: A2B Chem
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CatalogNumber
AA34476
ChemicalName
TAK-438
CasNumber
1260141-27-2
MolecularFormula
C21H20FN3O6S
MolecularWeight
461.46340319999996
MdlNumber
MFCD18633280
Smiles
OC(=O)C=CC(=O)O.CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Complexity
629
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
3
RotatableBondCount
7
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CatalogNumber: AA34476
ChemicalName: TAK-438
CasNumber: 1260141-27-2
MolecularFormula: C21H20FN3O6S
MolecularWeight: 461.46340319999996
MdlNumber: MFCD18633280
Smiles: OC(=O)C=CC(=O)O.CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Complexity: 629
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 7
CatalogNumber:
AA34476
ChemicalName:
TAK-438
CasNumber:
1260141-27-2
MolecularFormula:
C21H20FN3O6S
MolecularWeight:
461.46340319999996
MdlNumber:
MFCD18633280
Smiles:
OC(=O)C=CC(=O)O.CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Complexity:
629
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: BrCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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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:
BrCC(=O)NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1sc2c(c1)c(C)ccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1sc2c(c1)c(C)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)OC1CC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)OC1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__