AI63215
944842-54-0 | Decernotinib
Manufacturer: A2B Chem
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CatalogNumber
AI63215
ChemicalName
Decernotinib
CasNumber
944842-54-0
MolecularFormula
C18H19F3N6O
MolecularWeight
392.3783
MdlNumber
MFCD27987896
Smiles
CC[C@](C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C
Complexity
548
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
3.1
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CatalogNumber: AI63215
ChemicalName: Decernotinib
CasNumber: 944842-54-0
MolecularFormula: C18H19F3N6O
MolecularWeight: 392.3783
MdlNumber: MFCD27987896
Smiles: CC[C@](C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C
Complexity: 548
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 3.1
CatalogNumber:
AI63215
ChemicalName:
Decernotinib
CasNumber:
944842-54-0
MolecularFormula:
C18H19F3N6O
MolecularWeight:
392.3783
MdlNumber:
MFCD27987896
Smiles:
CC[C@](C(=O)NCC(F)(F)F)(Nc1ccnc(n1)c1c[nH]c2c1cccn2)C
Complexity:
548
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCc2c(C1)cncn2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCc2c(C1)cncn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(nn1)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(nn1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI63218
ChemicalName: Imidazo[1,2-a]pyrimidine-6-carboxylic acid
CasNumber: 944896-64-4
MolecularFormula: C7H5N3O2
MolecularWeight: 163.1335
MdlNumber: MFCD10698088
Smiles: OC(=O)c1cn2ccnc2nc1
Complexity: 197
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AI63218
ChemicalName:
Imidazo[1,2-a]pyrimidine-6-carboxylic acid
CasNumber:
944896-64-4
MolecularFormula:
C7H5N3O2
MolecularWeight:
163.1335
MdlNumber:
MFCD10698088
Smiles:
OC(=O)c1cn2ccnc2nc1
Complexity:
197
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6