Basic information
- Standard SMILES
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4ccc(C(F)(F)F)cc4)C3)CC2)cc1- InChIKey
QYEWGWXWEQCZQP-UHFFFAOYSA-N- Molecular formula
- C27H23ClF3N3O4
- Average molar mass
- 545.9 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(1-(5-chloro-2-(3-(4-(trifluoromethyl)phenoxy)azetidin-1-yl)nicotinamido)cyclopropyl)benzoate
- IUPAC
- methyl 4-[1-[[5-chloro-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoate
Names & synonyms
methyl 4-(1-(5-chloro-2-(3-(4-(trifluoromethyl)phenoxy)azetidin-1-yl)nicotinamido)cyclopropyl)benzoateSCHEMBL9901281
Database identifiers
- PubChem CID
- 67958630
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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