AB77079
152120-62-2 | N-(Benzyloxycarbonyl)-1h-pyrazole-1-carboxamidine
Manufacturer: A2B Chem
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CatalogNumber
AB77079
ChemicalName
N-(Benzyloxycarbonyl)-1h-pyrazole-1-carboxamidine
CasNumber
152120-62-2
MolecularFormula
C12H12N4O2
MolecularWeight
244.2493
MdlNumber
MFCD00274657
Smiles
O=C(NC(=N)n1cccn1)OCc1ccccc1
Complexity
313
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AB77079
ChemicalName: N-(Benzyloxycarbonyl)-1h-pyrazole-1-carboxamidine
CasNumber: 152120-62-2
MolecularFormula: C12H12N4O2
MolecularWeight: 244.2493
MdlNumber: MFCD00274657
Smiles: O=C(NC(=N)n1cccn1)OCc1ccccc1
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AB77079
ChemicalName:
N-(Benzyloxycarbonyl)-1h-pyrazole-1-carboxamidine
CasNumber:
152120-62-2
MolecularFormula:
C12H12N4O2
MolecularWeight:
244.2493
MdlNumber:
MFCD00274657
Smiles:
O=C(NC(=N)n1cccn1)OCc1ccccc1
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AB77080
ChemicalName: Z-D-Thr-OH
CasNumber: 80384-27-6
MolecularFormula: C12H15NO5
MolecularWeight: 253.2512
MdlNumber: MFCD00037808
Smiles: O=C(N[C@@H](C(=O)O)[C@@H](O)C)OCc1ccccc1
Complexity: 288
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 0.8
CatalogNumber:
AB77080
ChemicalName:
Z-D-Thr-OH
CasNumber:
80384-27-6
MolecularFormula:
C12H15NO5
MolecularWeight:
253.2512
MdlNumber:
MFCD00037808
Smiles:
O=C(N[C@@H](C(=O)O)[C@@H](O)C)OCc1ccccc1
Complexity:
288
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NCC(=S)N)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NCC(=S)N)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB77082
ChemicalName: Z-Asp(OBzl)-OH
CasNumber: 3479-47-8
MolecularFormula: C19H19NO6
MolecularWeight: 357.3573
MdlNumber: MFCD00037820
Smiles: O=C(C[C@@H](C(=O)O)NC(=O)OCc1ccccc1)OCc1ccccc1
Complexity: 469
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 10
Xlogp3: 2.4
CatalogNumber:
AB77082
ChemicalName:
Z-Asp(OBzl)-OH
CasNumber:
3479-47-8
MolecularFormula:
C19H19NO6
MolecularWeight:
357.3573
MdlNumber:
MFCD00037820
Smiles:
O=C(C[C@@H](C(=O)O)NC(=O)OCc1ccccc1)OCc1ccccc1
Complexity:
469
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
10
Xlogp3:
2.4