AI62044
927608-11-5 | tert-Butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI62044
ChemicalName
tert-Butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate
CasNumber
927608-11-5
MolecularFormula
C16H20ClN3O5
MolecularWeight
369.8001
MdlNumber
MFCD09149312
Smiles
O=C(N1CCN(CC1)C(=O)c1ccc(cc1Cl)[N+](=O)[O-])OC(C)(C)C
Complexity
523
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AI62044
ChemicalName: tert-Butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate
CasNumber: 927608-11-5
MolecularFormula: C16H20ClN3O5
MolecularWeight: 369.8001
MdlNumber: MFCD09149312
Smiles: O=C(N1CCN(CC1)C(=O)c1ccc(cc1Cl)[N+](=O)[O-])OC(C)(C)C
Complexity: 523
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AI62044
ChemicalName:
tert-Butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate
CasNumber:
927608-11-5
MolecularFormula:
C16H20ClN3O5
MolecularWeight:
369.8001
MdlNumber:
MFCD09149312
Smiles:
O=C(N1CCN(CC1)C(=O)c1ccc(cc1Cl)[N+](=O)[O-])OC(C)(C)C
Complexity:
523
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.6
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Smiles: CN1CCN(CC1)c1ccc(cc1)CNC(=O)OC(C)(C)C
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CN1CCN(CC1)c1ccc(cc1)CNC(=O)OC(C)(C)C
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Smiles: COC(=O)[C@H]1NC[C@@H]2[C@H]1C2.Cl
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COC(=O)[C@H]1NC[C@@H]2[C@H]1C2.Cl
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Smiles: CC(CN1CCCc2c1cc(N)cc2)C
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Smiles:
CC(CN1CCCc2c1cc(N)cc2)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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