Basic information
- Standard SMILES
C#CCOc1nc(Nc2ccc(S(=O)(=O)NCCOC)cc2)ncc1C#N- InChIKey
KVQOKEKTOGGVLP-UHFFFAOYSA-N- Molecular formula
- C17H17N5O4S
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- 2-{4-[N-(2-Methoxyethy)sulphamoyl]anilino}-4-(2-propyn-1-yloxy)-5-cyanopyrimidine
- IUPAC
- 4-[(5-cyano-4-prop-2-ynoxypyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
Names & synonyms
SCHEMBL5723568KVQOKEKTOGGVLP-UHFFFAOYSA-N2-{4-[N-(2-Methoxyethy)sulphamoyl]anilino}-4-(2-propyn-1-yloxy)-5-cyanopyrimidine
Database identifiers
- PubChem CID
- 9843202
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 654
Related reactions
1 records
Compound notes
Loading…