AC16804
867333-30-0 | tert-Butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC16804
ChemicalName
tert-Butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
CasNumber
867333-30-0
MolecularFormula
C16H21BrN2O3
MolecularWeight
369.2535
MdlNumber
MFCD06797260
Smiles
O=C(c1ccc(cc1)Br)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: AC16804
ChemicalName: tert-Butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
CasNumber: 867333-30-0
MolecularFormula: C16H21BrN2O3
MolecularWeight: 369.2535
MdlNumber: MFCD06797260
Smiles: O=C(c1ccc(cc1)Br)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AC16804
ChemicalName:
tert-Butyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
CasNumber:
867333-30-0
MolecularFormula:
C16H21BrN2O3
MolecularWeight:
369.2535
MdlNumber:
MFCD06797260
Smiles:
O=C(c1ccc(cc1)Br)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: Brc1cc(C)c2c(c1)nnc(n2)N
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Brc1cc(C)c2c(c1)nnc(n2)N
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Smiles: C1C[C@@H]2[C@H](N1)CN(CC2)CCc1ccccc1
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Smiles:
C1C[C@@H]2[C@H](N1)CN(CC2)CCc1ccccc1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: CN1CC2C(C1)CNC2
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MolecularFormula:
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Smiles:
CN1CC2C(C1)CNC2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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