AF32631
254964-60-8 | Tasquinimod
Manufacturer: A2B Chem
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CatalogNumber
AF32631
ChemicalName
Tasquinimod
CasNumber
254964-60-8
MolecularFormula
C20H17F3N2O4
MolecularWeight
406.3552
MdlNumber
MFCD18251454
Smiles
COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C
Complexity
686
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AF32631
ChemicalName: Tasquinimod
CasNumber: 254964-60-8
MolecularFormula: C20H17F3N2O4
MolecularWeight: 406.3552
MdlNumber: MFCD18251454
Smiles: COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C
Complexity: 686
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AF32631
ChemicalName:
Tasquinimod
CasNumber:
254964-60-8
MolecularFormula:
C20H17F3N2O4
MolecularWeight:
406.3552
MdlNumber:
MFCD18251454
Smiles:
COc1cccc2c1c(O)c(C(=O)N(c1ccc(cc1)C(F)(F)F)C)c(=O)n2C
Complexity:
686
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1O)[N+](=O)[O-])C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
COc1ccc(c(c1O)[N+](=O)[O-])C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C#CCN(c1ccc(cc1)C(=O)OC(C)(C)C)Cc1cc2c(cc1Cl)nc(n(c2=O)C)COC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C#CCN(c1ccc(cc1)C(=O)OC(C)(C)C)Cc1cc2c(cc1Cl)nc(n(c2=O)C)COC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1c(C)onc1c1ccccc1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1c(C)onc1c1ccccc1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__