Basic information
- Standard SMILES
Cc1cc2c(NC(=O)NC(C)c3ccc(Br)cc3)cccc2cn1- InChIKey
AAFIOYYVAYCSTF-UHFFFAOYSA-N- Molecular formula
- C19H18BrN3O
- Average molar mass
- 384.3 g/mol
Names & identifiers
- Preferred name
- 1-[1-(4-Bromophenyl)ethyl]-3-(3-methylisoquinolin-5-yl)urea
- IUPAC
- 1-[1-(4-bromophenyl)ethyl]-3-(3-methylisoquinolin-5-yl)urea
Names & synonyms
SCHEMBL4022009
Database identifiers
- PubChem CID
- 10249419
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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