AI10715
1162257-02-4 | 4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI10715
ChemicalName
4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
CasNumber
1162257-02-4
MolecularFormula
C17H22N2O4S
MolecularWeight
350.4326
MdlNumber
MFCD25562899
Smiles
C#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
593
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
2
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CatalogNumber: AI10715
ChemicalName: 4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
CasNumber: 1162257-02-4
MolecularFormula: C17H22N2O4S
MolecularWeight: 350.4326
MdlNumber: MFCD25562899
Smiles: C#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 593
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2
CatalogNumber:
AI10715
ChemicalName:
4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
CasNumber:
1162257-02-4
MolecularFormula:
C17H22N2O4S
MolecularWeight:
350.4326
MdlNumber:
MFCD25562899
Smiles:
C#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
593
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2
CatalogNumber: __
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Smiles: B(C1=C(C=CC(=C1)C(F)(F)F)OCC=C)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularWeight:
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MdlNumber:
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Smiles:
B(C1=C(C=CC(=C1)C(F)(F)F)OCC=C)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: B(C1=CC(=C(C(=C1)F)F)OCC=C)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
B(C1=CC(=C(C(=C1)F)F)OCC=C)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1c(C)nn(c1C)C)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1c(C)nn(c1C)C)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__