Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(C(F)(F)F)cnc3N3CC(Oc4ccc(F)c(F)c4)C3)CC2)cc1- InChIKey
RHQDOGJMJHAVOI-UHFFFAOYSA-N- Molecular formula
- C27H22F5N3O4
- Average molar mass
- 547.5 g/mol
- Monoisotopic mass
- 547.153047
Names & identifiers
- Preferred name
- Methyl 4-(1-(2-(3-(3,4-difluorophenoxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinamido)cyclopropyl)benzoate
- IUPAC
- methyl 4-[1-[[2-[3-(3,4-difluorophenoxy)azetidin-1-yl]-5-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclopropyl]benzoate
Names & synonyms
methyl 4-(1-(2-(3-(3,4-difluorophenoxy)azetidin-1-yl)-5-(trifluoromethyl)nicotinamido)cyclopropyl)benzoateSCHEMBL9901042
Database identifiers
- PubChem CID
- 67958495
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 889
Related reactions
1 records
Compound notes
Loading…