Basic information
- Standard SMILES
CCOC(=O)N1CCC(O)(c2cc(F)cc(Sc3ccc(C4(C)OCCO4)cc3)c2)C1- InChIKey
CCYUNRRZUYTLLO-UHFFFAOYSA-N- Molecular formula
- C23H26FNO5S
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- 1-Ethoxycarbonyl-3-{5-fluoro-3-[4-(2-methyl1,3-dioxolan-2-yl)phenylthio]phenyl}-3-hydroxypyrrolidine
- IUPAC
- ethyl 3-[3-fluoro-5-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]sulfanylphenyl]-3-hydroxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL9185182CCYUNRRZUYTLLO-UHFFFAOYSA-N1-ethoxycarbonyl-3-{5-fluoro-3-[4-(2-methyl1,3-dioxolan-2-yl)phenylthio]phenyl}-3-hydroxypyrrolidine
Database identifiers
- PubChem CID
- 19935839
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 625
Related reactions
2 records
Compound notes
Loading…