AB49791
518048-03-8 | 2-(1-Amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AB49791
ChemicalName
2-(1-Amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CasNumber
518048-03-8
MolecularFormula
C16H19FN4O3
MolecularWeight
334.3455
MdlNumber
MFCD10698741
Smiles
Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(N)(C)C
Complexity
592
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB49791
ChemicalName: 2-(1-Amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CasNumber: 518048-03-8
MolecularFormula: C16H19FN4O3
MolecularWeight: 334.3455
MdlNumber: MFCD10698741
Smiles: Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(N)(C)C
Complexity: 592
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB49791
ChemicalName:
2-(1-Amino-1-methylethyl)-n-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CasNumber:
518048-03-8
MolecularFormula:
C16H19FN4O3
MolecularWeight:
334.3455
MdlNumber:
MFCD10698741
Smiles:
Fc1ccc(cc1)CNC(=O)c1nc(n(c(=O)c1O)C)C(N)(C)C
Complexity:
592
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C
Complexity: 600
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C
Complexity:
600
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AB49793
ChemicalName: 4-Bromonicotinic acid
CasNumber: 15366-62-8
MolecularFormula: C6H4BrNO2
MolecularWeight: 202.00546
MdlNumber: MFCD04114236
Smiles: OC(=O)c1cnccc1Br
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB49793
ChemicalName:
4-Bromonicotinic acid
CasNumber:
15366-62-8
MolecularFormula:
C6H4BrNO2
MolecularWeight:
202.00546
MdlNumber:
MFCD04114236
Smiles:
OC(=O)c1cnccc1Br
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB49794
ChemicalName: Fmoc-(R)-3-amino-4-(4-methylphenyl)butanoic acid
CasNumber: 269398-86-9
MolecularFormula: C26H25NO4
MolecularWeight: 415.481
MdlNumber: MFCD01860929
Smiles: OC(=O)C[C@@H](Cc1ccc(cc1)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 593
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 4.9
CatalogNumber:
AB49794
ChemicalName:
Fmoc-(R)-3-amino-4-(4-methylphenyl)butanoic acid
CasNumber:
269398-86-9
MolecularFormula:
C26H25NO4
MolecularWeight:
415.481
MdlNumber:
MFCD01860929
Smiles:
OC(=O)C[C@@H](Cc1ccc(cc1)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
593
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
4.9