AA72740
144875-48-9 | Resiquimod
Manufacturer: A2B Chem
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CatalogNumber
AA72740
ChemicalName
Resiquimod
CasNumber
144875-48-9
MolecularFormula
C17H22N4O2
MolecularWeight
314.3822
MdlNumber
MFCD00937759
Smiles
CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N
Complexity
406
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
1.3
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CatalogNumber: AA72740
ChemicalName: Resiquimod
CasNumber: 144875-48-9
MolecularFormula: C17H22N4O2
MolecularWeight: 314.3822
MdlNumber: MFCD00937759
Smiles: CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AA72740
ChemicalName:
Resiquimod
CasNumber:
144875-48-9
MolecularFormula:
C17H22N4O2
MolecularWeight:
314.3822
MdlNumber:
MFCD00937759
Smiles:
CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
1.3
CatalogNumber: AA72741
ChemicalName: 2-(6-Bromopyridin-3-yl)acetonitrile
CasNumber: 144873-99-4
MolecularFormula: C7H5BrN2
MolecularWeight: 197.032
MdlNumber: MFCD08706175
Smiles: N#CCc1ccc(nc1)Br
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AA72741
ChemicalName:
2-(6-Bromopyridin-3-yl)acetonitrile
CasNumber:
144873-99-4
MolecularFormula:
C7H5BrN2
MolecularWeight:
197.032
MdlNumber:
MFCD08706175
Smiles:
N#CCc1ccc(nc1)Br
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCCC(Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCC(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@H](c1ccccc1F)N[S@@](=O)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@H](c1ccccc1F)N[S@@](=O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__