Basic information
- Standard SMILES
O=C(O)C1CC1CN1CCN(c2csc3cc(C(F)(F)F)ccc23)CC1- InChIKey
GKWPVNAPLMRNCD-UHFFFAOYSA-N- Molecular formula
- C18H19F3N2O2S
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.11193351
Names & identifiers
- Preferred name
- 2-[[4-[6-(Trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid
- IUPAC
- 2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL2958105
Database identifiers
- PubChem CID
- 23112421
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 539
Related reactions
3 records
Compound notes
Loading…