Basic information
- Standard SMILES
CCc1cccc(NC(=O)NCCCN2Cc3ccccc3CC2Cc2ccc(F)cc2)c1- InChIKey
ZRXAOWRZGUTAOC-UHFFFAOYSA-N- Molecular formula
- C28H32FN3O
- Average molar mass
- 445.6 g/mol
Names & identifiers
- Preferred name
- 1-(3-ethyl phenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea
- IUPAC
- 1-(3-ethylphenyl)-3-[3-[3-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]urea
Names & synonyms
SCHEMBL3122671ZRXAOWRZGUTAOC-UHFFFAOYSA-N1-(3-ethyl phenyl)-3-[3-[3-(4-fluorobenzyl)-3,4-dihydroisoquinolin-2(1H)-yl]propyl]urea
Database identifiers
- PubChem CID
- 59323312
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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