Basic information
- Standard SMILES
CCOC(=O)C1(C)CCN(Cc2ccc(-c3noc(-c4ccc(CC(C)C)c(Cl)c4)n3)cc2)CC1- InChIKey
LWCIDXJSSFSYMT-UHFFFAOYSA-N- Molecular formula
- C28H34ClN3O3
- Average molar mass
- 496 g/mol
- Monoisotopic mass
- 495.2288696
Names & identifiers
- Preferred name
- 1-{4-[5-(3-Chloro-4-isobutylphenyl)-[1,2,4]-oxadiazol-3-yl]-benzyl}-4-methylpiperidine-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[[4-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-methylpiperidine-4-carboxylate
Names & synonyms
SCHEMBL13269297LWCIDXJSSFSYMT-UHFFFAOYSA-N1-{4-[5-(3-chloro-4-isobutylphenyl)-[1,2,4]-oxadiazol-3-yl]-benzyl}-4-methylpiperidine-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 70869458
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 676
Related reactions
1 records
Compound notes
Loading…