Basic information
- Standard SMILES
CN(C)CCOc1cc(S(C)(=O)=O)ccc1-n1ncc2c(Cl)ncnc21- InChIKey
SMGODYSCVNZVOW-UHFFFAOYSA-N- Molecular formula
- C16H18ClN5O3S
- Average molar mass
- 395.9 g/mol
Names & identifiers
- Preferred name
- {2-[2-(4-Chloro-pyrazolo[3,4-d]pyrimidin-1-yl)-5-methanesulfonyl-phenoxy]-ethyl}-dimethyl-amine
- IUPAC
- 2-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-5-methylsulfonylphenoxy]-N,N-dimethylethanamine
Names & synonyms
SCHEMBL1244835SMGODYSCVNZVOW-UHFFFAOYSA-N{2-[2-(4-Chloro-pyrazolo[3,4-d]pyrimidin-1-yl)-5-methanesulfonyl-phenoxy]-ethyl}-dimethyl-amine{2-[2-(4-chloro-pyrazolo[3,4-d]pyrimidin-1-yl)-5-methanesulfonyl-phenoxyl]-ethyl}-dimethyl-amine
Database identifiers
- PubChem CID
- 21897434
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 573
Related reactions
8 records
Compound notes
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