AI34943
1422343-95-0 | 4-tert-Butyl 7-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI34943
ChemicalName
4-tert-Butyl 7-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate
CasNumber
1422343-95-0
MolecularFormula
C13H21NO6
MolecularWeight
287.3089
MdlNumber
MFCD28291975
Smiles
CCOC(=O)C1=C(O)CN(CCO1)C(=O)OC(C)(C)C
Complexity
387
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AI34943
ChemicalName: 4-tert-Butyl 7-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate
CasNumber: 1422343-95-0
MolecularFormula: C13H21NO6
MolecularWeight: 287.3089
MdlNumber: MFCD28291975
Smiles: CCOC(=O)C1=C(O)CN(CCO1)C(=O)OC(C)(C)C
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AI34943
ChemicalName:
4-tert-Butyl 7-ethyl 6-oxo-1,4-oxazepane-4,7-dicarboxylate
CasNumber:
1422343-95-0
MolecularFormula:
C13H21NO6
MolecularWeight:
287.3089
MdlNumber:
MFCD28291975
Smiles:
CCOC(=O)C1=C(O)CN(CCO1)C(=O)OC(C)(C)C
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1O[C@@H]2[C@@H](C1)CN(CC2)C(=O)OC(C)(C)C
Complexity: 376
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1O[C@@H]2[C@@H](C1)CN(CC2)C(=O)OC(C)(C)C
Complexity:
376
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1N(CCc2c1nnn2CC)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1N(CCc2c1nnn2CC)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CNCC(=O)N1C1CC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CNCC(=O)N1C1CC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__