Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(C1COCCOC1)N1C(=O)c2ccccc2C1=O- InChIKey
IXMXXQYQEFMBOD-UHFFFAOYSA-N- Molecular formula
- C18H22N2O6
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- t-Butyl 1,4-dioxepan-6-yl(1,3-dioxoisoindolin-2-yl)carbamate
- IUPAC
- tert-butyl N-(1,4-dioxepan-6-yl)-N-(1,3-dioxoisoindol-2-yl)carbamate
Names & synonyms
SCHEMBL14853127IXMXXQYQEFMBOD-UHFFFAOYSA-Nt-butyl 1,4-dioxepan-6-yl(1,3-dioxoisoindolin-2-yl)carbamate
Database identifiers
- PubChem CID
- 86686321
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 541
Related reactions
4 records
Compound notes
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