Basic information
- Standard SMILES
CC(=O)O.CCS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)c(C)c3[nH]c4ncc(C)cc4c23)c1- InChIKey
OVFYUKWJIMNWEE-UHFFFAOYSA-N- Molecular formula
- C24H23F3N2O4S
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.13306288
Names & identifiers
- Preferred name
- 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole acetate
- IUPAC
- acetic acid;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole
Names & synonyms
5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-7-(trifluoromethyl)-9H-pyrido[2,3-b]indole acetateSCHEMBL647142
Database identifiers
- PubChem CID
- 16123771
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 754
Related reactions
4 records
Compound notes
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