Basic information
- Standard SMILES
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC(Oc2ccc3ccccc3c2)C1- InChIKey
ZTLGCVIYSIOZND-UHFFFAOYSA-N- Molecular formula
- C25H27NO5S
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.16099414
Names & identifiers
- Preferred name
- Rac-(2-isopropoxy-5-methanesulfonyl-phenyl)-[3-(naphthalen-2-yloxy)-pyrrolidin-1-yl]-methanone
- IUPAC
- (5-methylsulfonyl-2-propan-2-yloxyphenyl)-(3-naphthalen-2-yloxypyrrolidin-1-yl)methanone
Names & synonyms
SCHEMBL3078431ZTLGCVIYSIOZND-UHFFFAOYSA-Nrac-(2-isopropoxy-5-methanesulfonyl-phenyl)-[3-(naphthalen-2-yloxy)-pyrrolidin-1-yl]-methanone
Database identifiers
- PubChem CID
- 11539733
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 748
Related reactions
1 records
Compound notes
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