Basic information
- Standard SMILES
COC(=O)CN1C(=O)C2(COCCOC2)N(C(=O)OC(C)(C)C)CC1c1ccc(F)cc1- InChIKey
YPSXANSURRSCDH-UHFFFAOYSA-N- Molecular formula
- C22H29FN2O7
- Average molar mass
- 452.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
- IUPAC
- tert-butyl 3-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
Names & synonyms
SCHEMBL11896300YPSXANSURRSCDH-UHFFFAOYSA-Ntert-butyl 3-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylatetert-butyl-3-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecane-1-carboxylate
Database identifiers
- PubChem CID
- 68154635
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 695
Related reactions
2 records
Compound notes
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