Basic information
- Standard SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(C(O)c3ccccc3C(F)(F)F)sc21- InChIKey
SOGCGWKUEAMEOS-UHFFFAOYSA-N- Molecular formula
- C19H18BrF3N2O3S
- Average molar mass
- 491.3 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-[hydroxy[2-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 5-bromo-6-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
Names & synonyms
5-Bromo-6-[hydroxy[2-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dioneSCHEMBL63440205-bromo-6-[hydroxy[2-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-methylpropyl)-thieno[2,3-d]pyrimidine-2,4(1h,3h)-dione5-Bromo-6-{hydroxy[2-(trifluoromethyl)phenyl]methyl}-1-isobutyl-3-methyl-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- PubChem CID
- 5282528
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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