AB01130
178624-90-3 | 3-Methyl-1-(toluene-4-sulfonyl)-piperazine
Manufacturer: A2B Chem
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CatalogNumber
AB01130
ChemicalName
3-Methyl-1-(toluene-4-sulfonyl)-piperazine
CasNumber
178624-90-3
MolecularFormula
C12H18N2O2S
MolecularWeight
254.3485
MdlNumber
MFCD06795933
Smiles
CC1NCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AB01130
ChemicalName: 3-Methyl-1-(toluene-4-sulfonyl)-piperazine
CasNumber: 178624-90-3
MolecularFormula: C12H18N2O2S
MolecularWeight: 254.3485
MdlNumber: MFCD06795933
Smiles: CC1NCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AB01130
ChemicalName:
3-Methyl-1-(toluene-4-sulfonyl)-piperazine
CasNumber:
178624-90-3
MolecularFormula:
C12H18N2O2S
MolecularWeight:
254.3485
MdlNumber:
MFCD06795933
Smiles:
CC1NCCN(C1)S(=O)(=O)c1ccc(cc1)C
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
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Smiles: OC(=O)c1ccccc1c1ccc2c(n1)nccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
OC(=O)c1ccccc1c1ccc2c(n1)nccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: COc1cc2c(cc1OC)CC(=O)NN=C2c1ccc(cc1)N
Complexity: __
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MolecularFormula:
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Smiles:
COc1cc2c(cc1OC)CC(=O)NN=C2c1ccc(cc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COc1cc(ccc1F)C(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(ccc1F)C(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__