Basic information
- Standard SMILES
CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1- InChIKey
VPFLMDVSLKJQCA-UHFFFAOYSA-N- Molecular formula
- C25H36F3N3O5S
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- Trifluoro-methanesulfonic acid 7-{[1-(morpholine-4-carbonyl)-piperidin-4-ylmethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-yl ester
- IUPAC
- [7-[[1-(morpholine-4-carbonyl)piperidin-4-yl]methyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-yl] trifluoromethanesulfonate
Names & synonyms
Trifluoro-methanesulfonic acid 7-{[1-(morpholine-4-carbonyl)-piperidin-4-ylmethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-yl esterSCHEMBL3387809
Database identifiers
- PubChem CID
- 21362799
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 855
Related reactions
2 records
Compound notes
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