AA44901
129029-23-8 | Ocaperidone
Manufacturer: A2B Chem
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CatalogNumber
AA44901
ChemicalName
Ocaperidone
CasNumber
129029-23-8
MolecularFormula
C24H25FN4O2
MolecularWeight
420.47930320000006
MdlNumber
MFCD00866668
Smiles
Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C
Complexity
856
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
3.3
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CatalogNumber: AA44901
ChemicalName: Ocaperidone
CasNumber: 129029-23-8
MolecularFormula: C24H25FN4O2
MolecularWeight: 420.47930320000006
MdlNumber: MFCD00866668
Smiles: Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C
Complexity: 856
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 3.3
CatalogNumber:
AA44901
ChemicalName:
Ocaperidone
CasNumber:
129029-23-8
MolecularFormula:
C24H25FN4O2
MolecularWeight:
420.47930320000006
MdlNumber:
MFCD00866668
Smiles:
Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C
Complexity:
856
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)[C@@H](C(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@@H](C(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl
Complexity: 451
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl
Complexity:
451
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__