2-[[2-(5-Isopropylthieno[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]ethyl methanesulfonate
Basic information
- Standard SMILES
CC(C)c1csc2ncnc(N3CC4CC3CC4OCCOS(C)(=O)=O)c12- InChIKey
ZBQRJWMZRXPPGJ-UHFFFAOYSA-N- Molecular formula
- C18H25N3O4S2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.12864863
Names & identifiers
- Preferred name
- 2-[[2-(5-Isopropylthieno[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]ethyl methanesulfonate
- IUPAC
- 2-[[2-(5-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]ethyl methanesulfonate
Names & synonyms
SCHEMBL14964986ZBQRJWMZRXPPGJ-UHFFFAOYSA-N2-[[2-(5-isopropylthieno[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]ethyl methanesulfonate
Database identifiers
- PubChem CID
- 89579484
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 627
Related reactions
2 records
Compound notes
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