Basic information
- Standard SMILES
CC(C)Oc1cccc(CNc2ccc3c(=O)[nH]nc(Cl)c3c2)c1- InChIKey
GMNIHMHXXRERON-UHFFFAOYSA-N- Molecular formula
- C18H18ClN3O2
- Average molar mass
- 343.8 g/mol
Names & identifiers
- Preferred name
- 4-chloro-6-(3-isopropoxy-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[(3-propan-2-yloxyphenyl)methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2463279GMNIHMHXXRERON-UHFFFAOYSA-N4-chloro-6-(3-isopropoxy-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24948345
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 483
Related reactions
3 records
Compound notes
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