Basic information
- Standard SMILES
OC(COc1ncnc2c1ncn2C1CCCCO1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1- InChIKey
DDHVXIXIAVLSIM-UHFFFAOYSA-N- Molecular formula
- C30H34F2N6O3
- Average molar mass
- 564.6 g/mol
Names & identifiers
- Preferred name
- 1-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-[9-(oxan-2-yl)purin-6-yl]oxypropan-2-ol
- IUPAC
- 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-[9-(oxan-2-yl)purin-6-yl]oxypropan-2-ol
Names & synonyms
CHEMBL343940SCHEMBL7321411
Database identifiers
- PubChem CID
- 10370671
- ChEMBL
CHEMBL343940
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 772
Related reactions
1 records
Compound notes
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