Basic information
- Standard SMILES
C=CC1CC1(NC(=O)C1CC(OC(=O)N2Cc3cccc(F)c3C2)CN1)C(=O)OCC- InChIKey
BXJAJPFAQABKSB-UHFFFAOYSA-N- Molecular formula
- C22H26FN3O5
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.1856491
Names & identifiers
- Preferred name
- [5-[(2-Ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
- IUPAC
- [5-[(2-ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
Database identifiers
- PubChem CID
- 72334544
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 749
Related reactions
4 records
Compound notes
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