Basic information
- Standard SMILES
COC(=O)CCCN1Cc2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc2C1=O- InChIKey
MVOFUBZTCICWFU-UHFFFAOYSA-N- Molecular formula
- C27H24F3N3O4
- Average molar mass
- 511.5 g/mol
- Monoisotopic mass
- 511.17189074
Names & identifiers
- Preferred name
- Methyl 4-(1-oxo-5-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenyl)isoindolin-2-yl)butanoate
- IUPAC
- methyl 4-[3-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-isoindol-2-yl]butanoate
Names & synonyms
Methyl 4-(1-oxo-5-(4-(3-(3-(trifluoromethyl)phenyl)ureido)phenyl)isoindolin-2-yl)butanoateSCHEMBL2181303
Database identifiers
- PubChem CID
- 67307663
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 815
Related reactions
2 records
Compound notes
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