4-(4-Bromophenoxy)-6-chloro-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine
Basic information
- CAS
5414-06-2- Standard SMILES
Clc1nc(Oc2ccc(Br)cc2)c2cnn(-c3ccccc3)c2n1- InChIKey
IZZYCQFBEUZXHJ-UHFFFAOYSA-N- Molecular formula
- C17H10BrClN4O
- Average molar mass
- 401.6 g/mol
- Monoisotopic mass
- 399.97265
Names & identifiers
- Preferred name
- 4-(4-Bromophenoxy)-6-chloro-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4-(4-bromophenoxy)-6-chloro-1-phenylpyrazolo[5,4-d]pyrimidine
Names & synonyms
5414-06-24-(4-bromophenoxy)-6-chloro-1-phenyl-1h-pyrazolo[3,4-d]pyrimidineNSC78834-(4-bromophenoxy)-6-chloro-1-phenylpyrazolo[3,4-d]pyrimidineDTXSID60278526NSC-7883
Database identifiers
- CAS
5414-06-2- PubChem CID
- 222264
- DTXSID
DTXSID60278526
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…