Basic information
- Standard SMILES
CC(C)c1ccc(OC2CCC3(CC2)SCC(C(=O)O)N3C(=O)c2ccccc2)cc1- InChIKey
IJDTZZPSPPGWOI-UHFFFAOYSA-N- Molecular formula
- C25H29NO4S
- Average molar mass
- 439.6 g/mol
- Monoisotopic mass
- 439.18172958
Names & identifiers
- Preferred name
- 4-Benzoyl-8-(4-propan-2-ylphenoxy)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
- IUPAC
- 4-benzoyl-8-(4-propan-2-ylphenoxy)-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
Database identifiers
- PubChem CID
- 9889406
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 631
Related reactions
2 records
Compound notes
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