AA58838
138775-02-7 | (R)-N-1-Boc-n-4-cbz-2-piperazine carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA58838
ChemicalName
(R)-N-1-Boc-n-4-cbz-2-piperazine carboxylic acid
CasNumber
138775-02-7
MolecularFormula
C18H24N2O6
MolecularWeight
364.393
MdlNumber
MFCD02179112
Smiles
OC(=O)[C@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity
524
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.9
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CatalogNumber: AA58838
ChemicalName: (R)-N-1-Boc-n-4-cbz-2-piperazine carboxylic acid
CasNumber: 138775-02-7
MolecularFormula: C18H24N2O6
MolecularWeight: 364.393
MdlNumber: MFCD02179112
Smiles: OC(=O)[C@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: 524
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.9
CatalogNumber:
AA58838
ChemicalName:
(R)-N-1-Boc-n-4-cbz-2-piperazine carboxylic acid
CasNumber:
138775-02-7
MolecularFormula:
C18H24N2O6
MolecularWeight:
364.393
MdlNumber:
MFCD02179112
Smiles:
OC(=O)[C@H]1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
524
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)NCSC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NCSC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA58841
ChemicalName: Methyl 4-nitro-1H-pyrazole-3-carboxylate
CasNumber: 138786-86-4
MolecularFormula: C5H5N3O4
MolecularWeight: 171.1109
MdlNumber: MFCD00505604
Smiles: [O-][N+](=O)c1c[nH]nc1C(=O)OC
Complexity: 201
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AA58841
ChemicalName:
Methyl 4-nitro-1H-pyrazole-3-carboxylate
CasNumber:
138786-86-4
MolecularFormula:
C5H5N3O4
MolecularWeight:
171.1109
MdlNumber:
MFCD00505604
Smiles:
[O-][N+](=O)c1c[nH]nc1C(=O)OC
Complexity:
201
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AA58842
ChemicalName: 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
CasNumber: 138786-67-1
MolecularFormula: C16H15F2N3NaO4S
MolecularWeight: 406.3596
MdlNumber: MFCD08704580
Smiles: COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity: 497
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AA58842
ChemicalName:
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
CasNumber:
138786-67-1
MolecularFormula:
C16H15F2N3NaO4S
MolecularWeight:
406.3596
MdlNumber:
MFCD08704580
Smiles:
COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity:
497
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
__