Basic information
- Standard SMILES
COc1ccc(C(F)(F)F)cc1-c1cnc(C(=O)N2CCC(N3CCCC3)CC2)c(C)c1- InChIKey
ITURJTQVUPQHJJ-UHFFFAOYSA-N- Molecular formula
- C24H28F3N3O2
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- [5-(2-Methoxy-5-trifluoromethyl-phenyl)-3-methyl-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone
- IUPAC
- [5-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methyl-2-pyridinyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
Names & synonyms
[5-(2-Methoxy-5-trifluoromethyl-phenyl)-3-methyl-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanoneSCHEMBL1421305
Database identifiers
- PubChem CID
- 44547503
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 632
Related reactions
2 records
Compound notes
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