4-[4-Fluoro-2-((S)-1-methanesulfonyl-piperidin-3-yloxy)-phenylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1sc2ncnc(Nc3ccc(F)cc3O[C@H]3CCCN(S(C)(=O)=O)C3)c2c1C- InChIKey
ZDNUFVYIQGEAHD-AWEZNQCLSA-N- Molecular formula
- C21H23FN4O5S2
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.10939036
Names & identifiers
- Preferred name
- 4-[4-Fluoro-2-((S)-1-methanesulfonyl-piperidin-3-yloxy)-phenylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester
- IUPAC
- methyl 4-[4-fluoro-2-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
Names & synonyms
SCHEMBL2409666ZDNUFVYIQGEAHD-AWEZNQCLSA-N4-[4-Fluoro-2-((S)-1-methanesulfonyl-piperidin-3-yloxy)-phenylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58413141
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 800
Related reactions
2 records
Compound notes
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