AA49173
1365889-99-1 | 5-(Cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
Manufacturer: A2B Chem
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CatalogNumber
AA49173
ChemicalName
5-(Cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CasNumber
1365889-99-1
MolecularFormula
C18H19FN2O
MolecularWeight
298.3547
MdlNumber
MFCD28142746
Smiles
Fc1nn(c2c1cc(C#CC1CCC1)cc2)C1CCCCO1
Complexity
466
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
4.6
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CatalogNumber: AA49173
ChemicalName: 5-(Cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CasNumber: 1365889-99-1
MolecularFormula: C18H19FN2O
MolecularWeight: 298.3547
MdlNumber: MFCD28142746
Smiles: Fc1nn(c2c1cc(C#CC1CCC1)cc2)C1CCCCO1
Complexity: 466
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.6
CatalogNumber:
AA49173
ChemicalName:
5-(Cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CasNumber:
1365889-99-1
MolecularFormula:
C18H19FN2O
MolecularWeight:
298.3547
MdlNumber:
MFCD28142746
Smiles:
Fc1nn(c2c1cc(C#CC1CCC1)cc2)C1CCCCO1
Complexity:
466
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.6
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Smiles: Brc1ccc2c(c1)c(F)nn2C1CCCCO1
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Smiles:
Brc1ccc2c(c1)c(F)nn2C1CCCCO1
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Smiles: CC/C(=C(c1ccc2c(c1)cn[nH]2)/c1ccc(cc1)/C=C/C(=O)O)/c1ccc(cc1Cl)F
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Smiles:
CC/C(=C(c1ccc2c(c1)cn[nH]2)/c1ccc(cc1)/C=C/C(=O)O)/c1ccc(cc1Cl)F
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Smiles: CC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)O
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Smiles:
CC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
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