1-{2-[3-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2-ethylphenyl]ethyl}-3-pyrrolidinecarboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCc1c(CCN2CCC(C(=O)O)C2)cccc1-c1nnc(-c2ccc(OC(C)C)c(Cl)c2)s1- InChIKey
NYLUMYNMUVUNLR-UHFFFAOYSA-N- Molecular formula
- C26H30ClN3O3S
- Average molar mass
- 500.1 g/mol
Names & identifiers
- Preferred name
- 1-{2-[3-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2-ethylphenyl]ethyl}-3-pyrrolidinecarboxylic acid
- IUPAC
- 1-[2-[3-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethylphenyl]ethyl]pyrrolidine-3-carboxylic acid
Names & synonyms
SCHEMBL1293123NYLUMYNMUVUNLR-UHFFFAOYSA-N1-{2-[3-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,3,4-thiadiazol-2-yl)-2-ethylphenyl]ethyl}-3-pyrrolidinecarboxylic acid
Database identifiers
- PubChem CID
- 54579372
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
Loading…