Basic information
- Standard SMILES
COc1ncc(-c2ccc3nc(C4CC(N5CCCC5C)C4)sc3c2)c(OC)n1- InChIKey
YUXZYOIYOWPNBW-UHFFFAOYSA-N- Molecular formula
- C22H26N4O2S
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- 6-(2,4-Dimethoxypyrimidin-5-yl)-2-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]-1,3-benzothiazole
- IUPAC
- 6-(2,4-dimethoxypyrimidin-5-yl)-2-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]-1,3-benzothiazole
Names & synonyms
SCHEMBL1744247
Database identifiers
- PubChem CID
- 67145490
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Related reactions
1 records
Compound notes
Loading…