Basic information
- Standard SMILES
O=c1[nH]nc(Cl)c2cc(NCc3c(Cl)cccc3Oc3ccccc3)ccc12- InChIKey
DCANFJBSBXDOEJ-UHFFFAOYSA-N- Molecular formula
- C21H15Cl2N3O2
- Average molar mass
- 412.3 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-(2-chloro-6-phenoxy-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[(2-chloro-6-phenoxyphenyl)methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2462712DCANFJBSBXDOEJ-UHFFFAOYSA-N4-Chloro-6-(2-chloro-6-phenoxy-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24945981
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
Related reactions
3 records
Compound notes
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