Basic information
- Standard SMILES
O=C(NCc1cc(Cl)ccc1Cl)Nc1cccc2cnccc12- InChIKey
MTPNXPJWILFETC-UHFFFAOYSA-N- Molecular formula
- C17H13Cl2N3O
- Average molar mass
- 346.2 g/mol
Names & identifiers
- Preferred name
- 1-[(2,5-Dichlorophenyl)methyl]-3-isoquinolin-5-ylurea
- IUPAC
- 1-[(2,5-dichlorophenyl)methyl]-3-isoquinolin-5-ylurea
Names & synonyms
SCHEMBL4023535
Database identifiers
- PubChem CID
- 10020484
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Related reactions
1 records
Compound notes
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