AX24405
1365889-00-4 | 5-(But-1-yn-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
Manufacturer: A2B Chem
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CatalogNumber
AX24405
ChemicalName
5-(But-1-yn-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CasNumber
1365889-00-4
MolecularFormula
C16H18N2O
MolecularWeight
254.3269
MdlNumber
MFCD28142748
Smiles
CCC#Cc1ccc2c(c1)cnn2C1CCCCO1
Complexity
369
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
3.5
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CatalogNumber: AX24405
ChemicalName: 5-(But-1-yn-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CasNumber: 1365889-00-4
MolecularFormula: C16H18N2O
MolecularWeight: 254.3269
MdlNumber: MFCD28142748
Smiles: CCC#Cc1ccc2c(c1)cnn2C1CCCCO1
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.5
CatalogNumber:
AX24405
ChemicalName:
5-(But-1-yn-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CasNumber:
1365889-00-4
MolecularFormula:
C16H18N2O
MolecularWeight:
254.3269
MdlNumber:
MFCD28142748
Smiles:
CCC#Cc1ccc2c(c1)cnn2C1CCCCO1
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.5
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Smiles: CC1(CCCNC1=O)C2=C(N=C(C=C2)Cl)OC
Complexity: __
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Smiles:
CC1(CCCNC1=O)C2=C(N=C(C=C2)Cl)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: CC(C)(C)OC(=O)N1CC2CCC(C2C1)C(=O)O
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Smiles:
CC(C)(C)OC(=O)N1CC2CCC(C2C1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CC2CCC1N(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CC2CCC1N(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__