AB77978
73590-58-6 | 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole
Manufacturer: A2B Chem
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CatalogNumber
AB77978
ChemicalName
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole
CasNumber
73590-58-6
MolecularFormula
C17H19N3O3S
MolecularWeight
345.41605999999996
MdlNumber
MFCD00083192
Smiles
COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C
Complexity
453
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AB77978
ChemicalName: 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole
CasNumber: 73590-58-6
MolecularFormula: C17H19N3O3S
MolecularWeight: 345.41605999999996
MdlNumber: MFCD00083192
Smiles: COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C
Complexity: 453
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AB77978
ChemicalName:
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole
CasNumber:
73590-58-6
MolecularFormula:
C17H19N3O3S
MolecularWeight:
345.41605999999996
MdlNumber:
MFCD00083192
Smiles:
COc1ccc2c(c1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C
Complexity:
453
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
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Smiles: CCC(C)C(C(=O)OC)N.Cl
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Smiles:
CCC(C)C(C(=O)OC)N.Cl
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Smiles: O=N(=O)c1ccccc1N
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Smiles:
O=N(=O)c1ccccc1N
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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