AF84047
350684-49-0 | tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF84047
ChemicalName
tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate
CasNumber
350684-49-0
MolecularFormula
C16H23N3O3
MolecularWeight
305.3721
MdlNumber
MFCD06659531
Smiles
O=C(c1ccc(cc1)N)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
403
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AF84047
ChemicalName: tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate
CasNumber: 350684-49-0
MolecularFormula: C16H23N3O3
MolecularWeight: 305.3721
MdlNumber: MFCD06659531
Smiles: O=C(c1ccc(cc1)N)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 403
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AF84047
ChemicalName:
tert-Butyl 4-(4-aminobenzoyl)tetrahydro-1(2H)-pyrazinecarboxylate
CasNumber:
350684-49-0
MolecularFormula:
C16H23N3O3
MolecularWeight:
305.3721
MdlNumber:
MFCD06659531
Smiles:
O=C(c1ccc(cc1)N)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
403
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
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Smiles: ClCCCC(=O)OC(C)(C)C
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Smiles:
ClCCCC(=O)OC(C)(C)C
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Smiles: OC1CN(C(=O)C1)C(=O)OC(C)(C)C
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Smiles:
OC1CN(C(=O)C1)C(=O)OC(C)(C)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O[C@H]1CCN[C@@H]1C(=O)O.O[C@@H]1CCN[C@H]1C(=O)O
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O[C@H]1CCN[C@@H]1C(=O)O.O[C@@H]1CCN[C@H]1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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