Basic information
- Standard SMILES
O=c1[nH]nc(Cl)c2cc(NCc3cccc(-c4cccs4)c3)ccc12- InChIKey
MGXMSLNHIOOPCS-UHFFFAOYSA-N- Molecular formula
- C19H14ClN3OS
- Average molar mass
- 367.9 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-(3-thiophen-2-yl-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[(3-thiophen-2-ylphenyl)methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2462114MGXMSLNHIOOPCS-UHFFFAOYSA-N4-Chloro-6-(3-thiophen-2-yl-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24946343
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 529
Related reactions
3 records
Compound notes
Loading…