Basic information
- Standard SMILES
COc1ccc(S(=O)(=O)N2Cc3cccc(C#Cc4ccccn4)c3C2)cc1OC- InChIKey
MWISKCQJNQSZQR-UHFFFAOYSA-N- Molecular formula
- C23H20N2O4S
- Average molar mass
- 420.5 g/mol
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxybenzenesulphonyl)-4-(2-pyrid-2-ylethynyl)isoindoline
- IUPAC
- 2-(3,4-dimethoxyphenyl)sulfonyl-4-(2-pyridin-2-ylethynyl)-1,3-dihydroisoindole
Names & synonyms
SCHEMBL7360650MWISKCQJNQSZQR-UHFFFAOYSA-N2-(3,4-Dimethoxybenzenesulphonyl)-4-(2-pyrid-2-ylethynyl)isoindoline
Database identifiers
- PubChem CID
- 19689640
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 752
Related reactions
1 records
Compound notes
Loading…