AD45991
10402-53-6 | 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AD45991
ChemicalName
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride
CasNumber
10402-53-6
MolecularFormula
C24H34Cl2N2O2
MolecularWeight
453.445
MdlNumber
MFCD01695215
Smiles
CCOC(c1ccccc1)CN1CCN(CC1)CC(C(=O)c1ccccc1)C.Cl.Cl
Complexity
450
Covalently-bondedUnitCount
3
HeavyAtomCount
30
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
9
UndefinedAtomStereocenterCount
2
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CatalogNumber: AD45991
ChemicalName: 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride
CasNumber: 10402-53-6
MolecularFormula: C24H34Cl2N2O2
MolecularWeight: 453.445
MdlNumber: MFCD01695215
Smiles: CCOC(c1ccccc1)CN1CCN(CC1)CC(C(=O)c1ccccc1)C.Cl.Cl
Complexity: 450
Covalently-bondedUnitCount: 3
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AD45991
ChemicalName:
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride
CasNumber:
10402-53-6
MolecularFormula:
C24H34Cl2N2O2
MolecularWeight:
453.445
MdlNumber:
MFCD01695215
Smiles:
CCOC(c1ccccc1)CN1CCN(CC1)CC(C(=O)c1ccccc1)C.Cl.Cl
Complexity:
450
Covalently-bondedUnitCount:
3
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
2
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Smiles: CCOc1ccc(cc1)C1(CC1(Cl)Cl)C(=O)O
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CCOc1ccc(cc1)C1(CC1(Cl)Cl)C(=O)O
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Smiles: CCN(C(=O)[C@@]1(C[C@@H]1CN1C(=O)c2c(C1=O)cccc2)c1ccccc1)CC
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Smiles:
CCN(C(=O)[C@@]1(C[C@@H]1CN1C(=O)c2c(C1=O)cccc2)c1ccccc1)CC
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Smiles: CCCCCCCCC=CCCCCCCCCCCCCC(=O)O
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Smiles:
CCCCCCCCC=CCCCCCCCCCCCCC(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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