Basic information
- Standard SMILES
O=Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)sc2c1CCCC2- InChIKey
RYKVDTACVGTZLY-UHFFFAOYSA-N- Molecular formula
- C19H20F3N3O2S
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.12283255
Names & identifiers
- Preferred name
- N-(3-Formyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydroindazol-1-yl)-acetamide
- IUPAC
- N-(3-formyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
Names & synonyms
N-(3-Formyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydroindazol-1-yl)-acetamideSCHEMBL3452048
Database identifiers
- PubChem CID
- 59520503
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 605
Related reactions
4 records
Compound notes
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