AI56888
838845-52-6 | tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI56888
ChemicalName
tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber
838845-52-6
MolecularFormula
C16H21IN2O3
MolecularWeight
416.254
MdlNumber
MFCD14635742
Smiles
Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
414
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AI56888
ChemicalName: tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber: 838845-52-6
MolecularFormula: C16H21IN2O3
MolecularWeight: 416.254
MdlNumber: MFCD14635742
Smiles: Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AI56888
ChemicalName:
tert-Butyl 4-[(3-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber:
838845-52-6
MolecularFormula:
C16H21IN2O3
MolecularWeight:
416.254
MdlNumber:
MFCD14635742
Smiles:
Ic1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: Fc1cc(cc(c1)F)NS(=O)(=O)c1ccccc1
Complexity: __
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Smiles:
Fc1cc(cc(c1)F)NS(=O)(=O)c1ccccc1
Complexity:
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Smiles: O=Cc1cc(Cl)c(cc1F)O
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Smiles:
O=Cc1cc(Cl)c(cc1F)O
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__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__