AI06494
1049022-58-3 | tert-Butyl 4-[(4-iodophenyl)carbonyl]piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI06494
ChemicalName
tert-Butyl 4-[(4-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber
1049022-58-3
MolecularFormula
C16H21IN2O3
MolecularWeight
416.254
MdlNumber
MFCD14635743
Smiles
O=C(c1ccc(cc1)I)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
406
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AI06494
ChemicalName: tert-Butyl 4-[(4-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber: 1049022-58-3
MolecularFormula: C16H21IN2O3
MolecularWeight: 416.254
MdlNumber: MFCD14635743
Smiles: O=C(c1ccc(cc1)I)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AI06494
ChemicalName:
tert-Butyl 4-[(4-iodophenyl)carbonyl]piperazine-1-carboxylate
CasNumber:
1049022-58-3
MolecularFormula:
C16H21IN2O3
MolecularWeight:
416.254
MdlNumber:
MFCD14635743
Smiles:
O=C(c1ccc(cc1)I)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: Clc1cc(Br)cc(c1)S(=O)(=O)Cl
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Smiles:
Clc1cc(Br)cc(c1)S(=O)(=O)Cl
Complexity:
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Smiles: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)NC(=O)OC(C)(C)C)C
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Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)NC(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: NC1=CC(=O)CC(C1)c1ccc(cc1)C
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
NC1=CC(=O)CC(C1)c1ccc(cc1)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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