AB44732
37793-53-6 | 4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44732
ChemicalName
4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid
CasNumber
37793-53-6
MolecularFormula
C16H11F3N6O4
MolecularWeight
408.2915
MdlNumber
MFCD00006707
Smiles
O=C(C(F)(F)F)N(c1ccc(cc1)C(=O)O)Cc1cnc2c(n1)c(=O)[nH]c(n2)N
Complexity
707
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
0.2
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CatalogNumber: AB44732
ChemicalName: 4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid
CasNumber: 37793-53-6
MolecularFormula: C16H11F3N6O4
MolecularWeight: 408.2915
MdlNumber: MFCD00006707
Smiles: O=C(C(F)(F)F)N(c1ccc(cc1)C(=O)O)Cc1cnc2c(n1)c(=O)[nH]c(n2)N
Complexity: 707
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AB44732
ChemicalName:
4-(N-((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)-2,2,2-trifluoroacetamido)benzoic acid
CasNumber:
37793-53-6
MolecularFormula:
C16H11F3N6O4
MolecularWeight:
408.2915
MdlNumber:
MFCD00006707
Smiles:
O=C(C(F)(F)F)N(c1ccc(cc1)C(=O)O)Cc1cnc2c(n1)c(=O)[nH]c(n2)N
Complexity:
707
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCc1ccc(cc1)C
Complexity: 158
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCCc1ccc(cc1)C
Complexity:
158
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: AB44734
ChemicalName: 4-(Pyridin-2-yl)butanoic acid
CasNumber: 102879-51-6
MolecularFormula: C9H11NO2
MolecularWeight: 165.1891
MdlNumber: MFCD00234552
Smiles: OC(=O)CCCc1ccccn1
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB44734
ChemicalName:
4-(Pyridin-2-yl)butanoic acid
CasNumber:
102879-51-6
MolecularFormula:
C9H11NO2
MolecularWeight:
165.1891
MdlNumber:
MFCD00234552
Smiles:
OC(=O)CCCc1ccccn1
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB44735
ChemicalName: 4-(Trifluoroacetyl)toluene
CasNumber: 394-59-2
MolecularFormula: C9H7F3O
MolecularWeight: 188.1465
MdlNumber: MFCD00052338
Smiles: O=C(C(F)(F)F)c1ccc(cc1)C
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB44735
ChemicalName:
4-(Trifluoroacetyl)toluene
CasNumber:
394-59-2
MolecularFormula:
C9H7F3O
MolecularWeight:
188.1465
MdlNumber:
MFCD00052338
Smiles:
O=C(C(F)(F)F)c1ccc(cc1)C
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.5