AV18377
1784807-21-1 | tert-Butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18377
ChemicalName
tert-Butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CasNumber
1784807-21-1
MolecularFormula
C12H20N2O3
MolecularWeight
240.2988
MdlNumber
MFCD28534913
Smiles
O=C(N1CC2CCC(C1)C(=O)N2)OC(C)(C)C
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
0.7
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CatalogNumber: AV18377
ChemicalName: tert-Butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CasNumber: 1784807-21-1
MolecularFormula: C12H20N2O3
MolecularWeight: 240.2988
MdlNumber: MFCD28534913
Smiles: O=C(N1CC2CCC(C1)C(=O)N2)OC(C)(C)C
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.7
CatalogNumber:
AV18377
ChemicalName:
tert-Butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CasNumber:
1784807-21-1
MolecularFormula:
C12H20N2O3
MolecularWeight:
240.2988
MdlNumber:
MFCD28534913
Smiles:
O=C(N1CC2CCC(C1)C(=O)N2)OC(C)(C)C
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(ccc1OC(C)C)C(=O)OC(C)C
Complexity: 329
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(ccc1OC(C)C)C(=O)OC(C)C
Complexity:
329
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(=C1CCC1)C(=O)OCC
Complexity: 265
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(=C1CCC1)C(=O)OCC
Complexity:
265
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C[C@@H]1C[N+]2(CCC1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O)Cc1ccc(cc1)[N+](=O)[O-].[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C[C@@H]1C[N+]2(CCC1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O)Cc1ccc(cc1)[N+](=O)[O-].[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__