1-{2-[3-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-(methyloxy)phenyl]ethyl}-4-piperidinecarboxylic acid
Basic information
- Standard SMILES
COc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1- InChIKey
JGAGLUCQCUZBLI-UHFFFAOYSA-N- Molecular formula
- C26H30ClN3O4S
- Average molar mass
- 516.1 g/mol
- Monoisotopic mass
- 515.1645553
Names & identifiers
- Preferred name
- 1-{2-[3-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-(methyloxy)phenyl]ethyl}-4-piperidinecarboxylic acid
- IUPAC
- 1-[2-[3-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-thiadiazol-3-yl]-2-methoxyphenyl]ethyl]piperidine-4-carboxylic acid
Names & synonyms
SCHEMBL1294103JGAGLUCQCUZBLI-UHFFFAOYSA-N1-{2-[3-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazol-3-yl)-2-(methyloxy)phenyl]ethyl}-4-piperidinecarboxylic acid
Database identifiers
- PubChem CID
- 54578461
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 681
Related reactions
2 records
Compound notes
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