(R)-2-{2-[6-butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxy]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

HCID 67375014

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

Related reactions

3 records

Compound notes

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