AA03067
100627-39-2 | Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA03067
ChemicalName
Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
CasNumber
100627-39-2
MolecularFormula
C21H25NO6S
MolecularWeight
419.4913
MdlNumber
MFCD00666419
Smiles
CCOC(=O)CCCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1C(=O)OC
NscNumber
105685
Complexity
636
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
7
RotatableBondCount
11
Xlogp3
3.4
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CatalogNumber: AA03067
ChemicalName: Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
CasNumber: 100627-39-2
MolecularFormula: C21H25NO6S
MolecularWeight: 419.4913
MdlNumber: MFCD00666419
Smiles: CCOC(=O)CCCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1C(=O)OC
NscNumber: 105685
Complexity: 636
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
RotatableBondCount: 11
Xlogp3: 3.4
CatalogNumber:
AA03067
ChemicalName:
Methyl 2-(N-(4-ethoxy-4-oxobutyl)-4-methylphenylsulfonamido)benzoate
CasNumber:
100627-39-2
MolecularFormula:
C21H25NO6S
MolecularWeight:
419.4913
MdlNumber:
MFCD00666419
Smiles:
CCOC(=O)CCCN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1C(=O)OC
NscNumber:
105685
Complexity:
636
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
RotatableBondCount:
11
Xlogp3:
3.4
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Smiles: Brc1ccc(cc1)Cc1nc2c([nH]1)cccc2
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Smiles:
Brc1ccc(cc1)Cc1nc2c([nH]1)cccc2
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Smiles: OB(c1c2ccccc2cc2c1cccc2)O
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Complexity: 247
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Smiles:
OB(c1c2ccccc2cc2c1cccc2)O
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Complexity:
247
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: COc1cccc2c1Cc1ccccc1O2
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Smiles:
COc1cccc2c1Cc1ccccc1O2
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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