Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(CC(=O)Nn2nc(N3CCOCC3)c3ccccc3c2=O)cc1- InChIKey
AYTFWCUCURSBMJ-UHFFFAOYSA-N- Molecular formula
- C21H22N4O5S
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.13109099
Names & identifiers
- Preferred name
- 2-[4-(methylsulfonyl)phenyl]-N-[4-(morpholin-4-yl)-1-oxophthalazin-2(1H)-yl]acetamide
- IUPAC
- 2-(4-methylsulfonylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
Names & synonyms
SCHEMBL13720456AYTFWCUCURSBMJ-UHFFFAOYSA-N2-[4-(methylsulfonyl)phenyl]-N-[4-(morpholin-4-yl)-1-oxophthalazin-2(1H)-yl]acetamide
Database identifiers
- PubChem CID
- 70975820
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 810
Related reactions
1 records
Compound notes
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