AI50688
459417-40-4 | Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI50688
ChemicalName
Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate
CasNumber
459417-40-4
MolecularFormula
C15H26N2O5
MolecularWeight
314.3773
MdlNumber
MFCD21362344
Smiles
O=C(N1CCN(CC(=O)C1)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity
408
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AI50688
ChemicalName: Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate
CasNumber: 459417-40-4
MolecularFormula: C15H26N2O5
MolecularWeight: 314.3773
MdlNumber: MFCD21362344
Smiles: O=C(N1CCN(CC(=O)C1)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AI50688
ChemicalName:
Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate
CasNumber:
459417-40-4
MolecularFormula:
C15H26N2O5
MolecularWeight:
314.3773
MdlNumber:
MFCD21362344
Smiles:
O=C(N1CCN(CC(=O)C1)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C(=O)Nc1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)C(=O)Nc1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC[N+](CF)(C)C.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC[N+](CF)(C)C.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI50691
ChemicalName: 2-Bromopyrimidine
CasNumber: 4595-60-2
MolecularFormula: C4H3BrN2
MolecularWeight: 158.984
MdlNumber: MFCD00014601
Smiles: Brc1ncccn1
Complexity: 51.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AI50691
ChemicalName:
2-Bromopyrimidine
CasNumber:
4595-60-2
MolecularFormula:
C4H3BrN2
MolecularWeight:
158.984
MdlNumber:
MFCD00014601
Smiles:
Brc1ncccn1
Complexity:
51.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
0.5