Isoquinolin-1-yl(phenyl)methyl benzoate
Basic information
- CAS
5468-02-0- Standard SMILES
O=C(OC(c1ccccc1)c1nccc2ccccc12)c1ccccc1- InChIKey
OBNCXZIUMMLFJY-UHFFFAOYSA-N- Molecular formula
- C23H17NO2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.12592879
Names & identifiers
- Preferred name
- Isoquinolin-1-yl(phenyl)methyl benzoate
- IUPAC
- [isoquinolin-1-yl(phenyl)methyl] benzoate
Names & synonyms
isoquinolin-1-yl(phenyl)methyl benzoate5468-02-0MLS002639062isoquinolylphenylmethyl benzoateNSC25452Oprea1_528409CHEMBL1713127DTXSID50282334HMS3093P191-isoquinolyl(phenyl)methyl benzoateNSC-25452AKOS000808430
Show more names
AKOS016290514SMR001548515(Isoquinolin-1-yl)(phenyl)methyl benzoateST50037380SR-01000443550SR-01000443550-1Z56175919
Database identifiers
- CAS
5468-02-0- PubChem CID
- 230508
- DTXSID
DTXSID50282334- ChEMBL
CHEMBL1713127
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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