1-[3,4-Bis(phenylmethoxy)phenyl]-[1,3]oxazolo[4,3-a]isoquinolin-3-one
Basic information
- CAS
39949-79-6- Standard SMILES
O=c1oc(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c2c3ccccc3ccn12- InChIKey
HKRGGMLRMDJLNX-UHFFFAOYSA-N- Molecular formula
- C31H23NO4
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.16270821
Names & identifiers
- Preferred name
- 1-[3,4-Bis(phenylmethoxy)phenyl]-[1,3]oxazolo[4,3-a]isoquinolin-3-one
- IUPAC
- 1-[3,4-bis(phenylmethoxy)phenyl]-[1,3]oxazolo[4,3-a]isoquinolin-3-one
Names & synonyms
39949-79-6NSC1721591-[3,4-bis(phenylmethoxy)phenyl]-[1,3]oxazolo[4,3-a]isoquinolin-3-oneDTXSID40329949NSC-1721591-[3,4-Bis(benzyloxy)phenyl]-3H-[1,3]oxazolo[4,3-a]isoquinolin-3-one
Database identifiers
- CAS
39949-79-6- PubChem CID
- 425248
- DTXSID
DTXSID40329949
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 824
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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