Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(C(F)(F)F)cnc3N3CC(Oc4cccc(OC(F)(F)F)c4)C3)CC2)cc1- InChIKey
JTLSKQUOGCFHPI-UHFFFAOYSA-N- Molecular formula
- C28H23F6N3O5
- Average molar mass
- 595.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(1-(2-(3-(3-(trifluoromethoxy)phenoxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinamido)cyclopropyl)benzoate
- IUPAC
- methyl 4-[1-[[2-[3-[3-(trifluoromethoxy)phenoxy]azetidin-1-yl]-5-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclopropyl]benzoate
Names & synonyms
methyl 4-(1-(2-(3-(3-(trifluoromethoxy)phenoxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinamido)cyclopropyl)benzoateSCHEMBL9905524
Database identifiers
- PubChem CID
- 86697880
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 963
Related reactions
1 records
Compound notes
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