Basic information
- Standard SMILES
CSc1cc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@@H]1N1CCCC1- InChIKey
XLHLLBBEWYWUIA-CABCVRRESA-N- Molecular formula
- C18H23F3N2OS
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.14831902
Names & identifiers
- Preferred name
- cis-2-Methylsulfanyl-N-(2-pyrrolidin-1-yl-cyclopentyl)-4-trifluoromethyl-benzamide
- IUPAC
- 2-methylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
Names & synonyms
cis-2-Methylsulfanyl-N-(2-pyrrolidin-1-yl-cyclopentyl)-4-trifluoromethyl-benzamideSCHEMBL424934
Database identifiers
- PubChem CID
- 58062856
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Related reactions
2 records
Compound notes
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