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Basic information
- Standard SMILES
COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2ccccc2CCOS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
JEXDAKOREFGTKC-UHFFFAOYSA-N- Molecular formula
- C44H55NO10S
- Average molar mass
- 790 g/mol
- Monoisotopic mass
- 789.35466812
Names & identifiers
- Preferred name
- Tert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}-ethoxy)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethyl]phenoxy]ethoxy]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3065672JEXDAKOREFGTKC-UHFFFAOYSA-Ntert-butyl 4-{4-[3-(2-methoxybenyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}ethoxy)piperidine-1-carboxylatetert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}-ethoxy)piperidine-1-carboxylatetert-butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-(2-{2-[2-(toluene-4-sulphonyloxy)ethyl]phenoxy}ethoxy)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86609986
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
19 records
Compound notes
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