AX62283
1313278-42-0 | (S)-4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AX62283
ChemicalName
(S)-4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber
1313278-42-0
MolecularFormula
C19H26N2O6
MolecularWeight
378.4195
MdlNumber
MFCD08062247
Smiles
COC(=O)[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity
539
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
RotatableBondCount
7
Xlogp3
2.2
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CatalogNumber: AX62283
ChemicalName: (S)-4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber: 1313278-42-0
MolecularFormula: C19H26N2O6
MolecularWeight: 378.4195
MdlNumber: MFCD08062247
Smiles: COC(=O)[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: 539
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
RotatableBondCount: 7
Xlogp3: 2.2
CatalogNumber:
AX62283
ChemicalName:
(S)-4-Benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber:
1313278-42-0
MolecularFormula:
C19H26N2O6
MolecularWeight:
378.4195
MdlNumber:
MFCD08062247
Smiles:
COC(=O)[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
539
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
RotatableBondCount:
7
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ONCc1ccc(cc1Cl)Cl.Cl
Complexity: 123
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ONCc1ccc(cc1Cl)Cl.Cl
Complexity:
123
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H](c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-])N
Complexity: 265
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-])N
Complexity:
265
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F
Complexity: 421
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F
Complexity:
421
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6