Basic information
- Standard SMILES
CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)Nc4nccc(-c5ccc(C(F)(F)F)cc5)n4)cc3)c(Cl)cc21- InChIKey
VIEUWQUHDXWOAC-UHFFFAOYSA-N- Molecular formula
- C30H23ClF3N3O5
- Average molar mass
- 598 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-chloro-7-(4-(4-(4-(trifluoromethyl)phenyl)pyrimidin-2-ylcarbamoyl)phenoxy)chroman-4-carboxylate
- IUPAC
- ethyl 6-chloro-7-[4-[[4-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate
Names & synonyms
ethyl 6-chloro-7-(4-(4-(4-(trifluoromethyl)phenyl)pyrimidin-2-ylcarbamoyl)phenoxy)chroman-4-carboxylateSCHEMBL2130532
Database identifiers
- PubChem CID
- 67287776
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 913
Related reactions
2 records
Compound notes
Loading…