AI39125
173951-83-2 | N-((4-Nitrophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine
Manufacturer: A2B Chem
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CatalogNumber
AI39125
ChemicalName
N-((4-Nitrophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine
CasNumber
173951-83-2
MolecularFormula
C15H21N3O6S
MolecularWeight
371.4087
MdlNumber
MFCD04059411
Smiles
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity
588
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
7
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AI39125
ChemicalName: N-((4-Nitrophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine
CasNumber: 173951-83-2
MolecularFormula: C15H21N3O6S
MolecularWeight: 371.4087
MdlNumber: MFCD04059411
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 588
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 7
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AI39125
ChemicalName:
N-((4-Nitrophenyl)sulfonyl)-1-(tert-butyloxycarbonyl)piperazine
CasNumber:
173951-83-2
MolecularFormula:
C15H21N3O6S
MolecularWeight:
371.4087
MdlNumber:
MFCD04059411
Smiles:
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
588
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
7
RotatableBondCount:
4
Xlogp3:
1.6
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Smiles: C/C=C/CC/C=C/CC(=O)[C@@H]1O[C@@H]1C(=O)N
Complexity: __
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Smiles:
C/C=C/CC/C=C/CC(=O)[C@@H]1O[C@@H]1C(=O)N
Complexity:
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Smiles: C1CC2=CC=CC=C2CC1N3C(=CNC3=S)CN.Cl
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C1CC2=CC=CC=C2CC1N3C(=CNC3=S)CN.Cl
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OCC1CN(CC1(F)F)C(=O)OCc1ccccc1
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OCC1CN(CC1(F)F)C(=O)OCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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