Basic information
- Standard SMILES
CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(O)cnc21- InChIKey
BCVWYNXZABISQO-UHFFFAOYSA-N- Molecular formula
- C22H20F3N3OS
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-ol
- IUPAC
- 1-[[4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]pyrrolo[2,3-b]pyridin-5-ol
Names & synonyms
1-[4-Butyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-olSCHEMBL40727221-[4-Butyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylmethyl]-1H-pyrrolo[2,3-b]pyridin-5-ol
Database identifiers
- PubChem CID
- 57713027
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 558
Related reactions
6 records
Compound notes
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