AX62567
1639417-53-0 | Tenalisib
Manufacturer: A2B Chem
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CatalogNumber
AX62567
ChemicalName
Tenalisib
CasNumber
1639417-53-0
MolecularFormula
C23H18FN5O2
MolecularWeight
415.4197
MdlNumber
MFCD28502205
Smiles
CC[C@@H](c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2
Complexity
704
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
4.2
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CatalogNumber: AX62567
ChemicalName: Tenalisib
CasNumber: 1639417-53-0
MolecularFormula: C23H18FN5O2
MolecularWeight: 415.4197
MdlNumber: MFCD28502205
Smiles: CC[C@@H](c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2
Complexity: 704
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.2
CatalogNumber:
AX62567
ChemicalName:
Tenalisib
CasNumber:
1639417-53-0
MolecularFormula:
C23H18FN5O2
MolecularWeight:
415.4197
MdlNumber:
MFCD28502205
Smiles:
CC[C@@H](c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2
Complexity:
704
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1c(Br)c2CCCn3c2c(c1C)nc3Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1c(Br)c2CCCn3c2c(c1C)nc3Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cn(C)c(=O)c(c1)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cn(C)c(=O)c(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1CCN(C[C@H]1F)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1CCN(C[C@H]1F)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__