AB47348
54761-87-4 | 2-Benzoyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB47348
ChemicalName
2-Benzoyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one
CasNumber
54761-87-4
MolecularFormula
C19H18N2O2
MolecularWeight
306.3584
MdlNumber
MFCD00552738
Smiles
O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)c1ccccc1
Complexity
472
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AB47348
ChemicalName: 2-Benzoyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one
CasNumber: 54761-87-4
MolecularFormula: C19H18N2O2
MolecularWeight: 306.3584
MdlNumber: MFCD00552738
Smiles: O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)c1ccccc1
Complexity: 472
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AB47348
ChemicalName:
2-Benzoyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one
CasNumber:
54761-87-4
MolecularFormula:
C19H18N2O2
MolecularWeight:
306.3584
MdlNumber:
MFCD00552738
Smiles:
O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)c1ccccc1
Complexity:
472
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AB47349
ChemicalName: Praziquantel
CasNumber: 55268-74-1
MolecularFormula: C19H24N2O2
MolecularWeight: 312.4061
MdlNumber: MFCD00058531
Smiles: O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)C1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB47349
ChemicalName:
Praziquantel
CasNumber:
55268-74-1
MolecularFormula:
C19H24N2O2
MolecularWeight:
312.4061
MdlNumber:
MFCD00058531
Smiles:
O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)C1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB47351
ChemicalName: 5-Fluoro-2-formylpyridine
CasNumber: 31181-88-1
MolecularFormula: C6H4FNO
MolecularWeight: 125.1005
MdlNumber: MFCD07781242
Smiles: O=Cc1ccc(cn1)F
Complexity: 107
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AB47351
ChemicalName:
5-Fluoro-2-formylpyridine
CasNumber:
31181-88-1
MolecularFormula:
C6H4FNO
MolecularWeight:
125.1005
MdlNumber:
MFCD07781242
Smiles:
O=Cc1ccc(cn1)F
Complexity:
107
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: AB47352
ChemicalName: 1,3-Benzothiazol-5-amine
CasNumber: 1123-93-9
MolecularFormula: C7H6N2S
MolecularWeight: 150.2009
MdlNumber: MFCD13193823
Smiles: Nc1ccc2c(c1)ncs2
Complexity: 129
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
AB47352
ChemicalName:
1,3-Benzothiazol-5-amine
CasNumber:
1123-93-9
MolecularFormula:
C7H6N2S
MolecularWeight:
150.2009
MdlNumber:
MFCD13193823
Smiles:
Nc1ccc2c(c1)ncs2
Complexity:
129
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3