AG17171
55745-83-0 | 2-Piperazin-1-yl-benzothiazole
Manufacturer: A2B Chem
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CatalogNumber
AG17171
ChemicalName
2-Piperazin-1-yl-benzothiazole
CasNumber
55745-83-0
MolecularFormula
C11H13N3S
MolecularWeight
219.306
MdlNumber
MFCD01417996
Smiles
N1CCN(CC1)c1nc2c(s1)cccc2
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AG17171
ChemicalName: 2-Piperazin-1-yl-benzothiazole
CasNumber: 55745-83-0
MolecularFormula: C11H13N3S
MolecularWeight: 219.306
MdlNumber: MFCD01417996
Smiles: N1CCN(CC1)c1nc2c(s1)cccc2
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AG17171
ChemicalName:
2-Piperazin-1-yl-benzothiazole
CasNumber:
55745-83-0
MolecularFormula:
C11H13N3S
MolecularWeight:
219.306
MdlNumber:
MFCD01417996
Smiles:
N1CCN(CC1)c1nc2c(s1)cccc2
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AG17172
ChemicalName: 6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester
CasNumber: 511230-72-1
MolecularFormula: C11H12BrNO2
MolecularWeight: 270.1225
MdlNumber: MFCD03426372
Smiles: COC(=O)C1CCc2c(N1)ccc(c2)Br
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AG17172
ChemicalName:
6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester
CasNumber:
511230-72-1
MolecularFormula:
C11H12BrNO2
MolecularWeight:
270.1225
MdlNumber:
MFCD03426372
Smiles:
COC(=O)C1CCc2c(N1)ccc(c2)Br
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1[nH]nc(c1)c1ccc(cc1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1[nH]nc(c1)c1ccc(cc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(n1ncc(c1)C(=O)O)C
Complexity: 159
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(n1ncc(c1)C(=O)O)C
Complexity:
159
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5