Basic information
- Standard SMILES
CCCCc1nnc(OCC[C@H]2CCCCN2C(=O)OC(C)(C)C)cc1-c1ccc(OC2CCCCC2)cc1- InChIKey
MOBRIYYTYXQFDS-RUZDIDTESA-N- Molecular formula
- C32H47N3O4
- Average molar mass
- 537.7 g/mol
- Monoisotopic mass
- 537.35665699
Names & identifiers
- Preferred name
- (R)-2-{2-[6-butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-2-[2-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxyethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2352958MOBRIYYTYXQFDS-RUZDIDTESA-N(R)-2-{2-[6-butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67375014
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 715
Related reactions
3 records
Compound notes
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