Basic information
- Standard SMILES
C=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)ns2)CC1)c1ccc(OC)cc1- InChIKey
YUEXQWNDORRNFL-UHFFFAOYSA-N- Molecular formula
- C22H23ClN4OS
- Average molar mass
- 427 g/mol
- Monoisotopic mass
- 426.1281102
Names & identifiers
- Preferred name
- 1-[3-(4-Chloro-phenyl)-[1,2,4]thiadiazol-5-yl]-4-[2-(4-methoxy-phenyl)-allyl]-piperazine
- IUPAC
- 3-(4-chlorophenyl)-5-[4-[2-(4-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-1,2,4-thiadiazole
Names & synonyms
SCHEMBL14486570YUEXQWNDORRNFL-UHFFFAOYSA-N1-[3-(4-Chloro-phenyl)-[1,2,4]thiadiazol-5-yl]-4-[2-(4-methoxy-phenyl)-allyl]-piperazine
Database identifiers
- PubChem CID
- 71503330
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Related reactions
1 records
Compound notes
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