Basic information
- Standard SMILES
COC(=O)c1sc2c(C(F)(F)F)cccc2c1C1CCNCC1- InChIKey
YHZQSUHHPWTQLD-UHFFFAOYSA-N- Molecular formula
- C16H16F3NO2S
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 3-Piperidin-4-yl-7-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 3-piperidin-4-yl-7-(trifluoromethyl)-1-benzothiophene-2-carboxylate
Names & synonyms
3-piperidin-4-yl-7-trifluoromethyl-benzo[b]thiophene-2-carboxylic acid methyl esterSCHEMBL2955751
Database identifiers
- PubChem CID
- 58817652
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
9 records
Compound notes
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