Basic information
- Standard SMILES
CC(C)(C)c1ccccc1OC1CN(S(=O)(=O)c2ccccc2)C1- InChIKey
CDHDJEIIEIOMJV-UHFFFAOYSA-N- Molecular formula
- C19H23NO3S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.13986477
Names & identifiers
- Preferred name
- 3-(2-Tert-butylphenoxy)-1-(phenylsulfonyl)azetidine
- IUPAC
- 1-(benzenesulfonyl)-3-(2-tert-butylphenoxy)azetidine
Names & synonyms
SCHEMBL3105351CDHDJEIIEIOMJV-UHFFFAOYSA-N3-(2-tert-butylphenoxy)-1-(phenylsulfonyl)azetidine
Database identifiers
- PubChem CID
- 59577317
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
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