Basic information
- Standard SMILES
O=C(NCc1ccc(Br)cc1)Nc1cccc2cnc(Cl)cc12- InChIKey
ZERITPKSUIBLSC-UHFFFAOYSA-N- Molecular formula
- C17H13BrClN3O
- Average molar mass
- 390.7 g/mol
- Monoisotopic mass
- 388.99305
Names & identifiers
- Preferred name
- 1-[(4-Bromophenyl)methyl]-3-(3-chloroisoquinolin-5-yl)urea
- IUPAC
- 1-[(4-bromophenyl)methyl]-3-(3-chloroisoquinolin-5-yl)urea
Names & synonyms
SCHEMBL4023499
Database identifiers
- PubChem CID
- 10430503
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
1 records
Compound notes
Loading…