Basic information
- Standard SMILES
CCCCCCCCCCOc1ccc2cc(-c3nnc(CCCCCC)s3)ccc2c1- InChIKey
XZNVBHLELDQFQQ-UHFFFAOYSA-N- Molecular formula
- C28H40N2OS
- Average molar mass
- 452.7 g/mol
- Monoisotopic mass
- 452.28613508
Names & identifiers
- Preferred name
- 2-Hexyl-5-(6-decyloxynaphthalene-2-yl)-1,3,4-thiadiazole
- IUPAC
- 2-(6-decoxynaphthalen-2-yl)-5-hexyl-1,3,4-thiadiazole
Names & synonyms
SCHEMBL9200933XZNVBHLELDQFQQ-UHFFFAOYSA-N2-hexyl-5-(6-decyloxynaphthalene-2-yl)-1,3,4-thiadiazole
Database identifiers
- PubChem CID
- 19907931
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 476
Related reactions
1 records
Compound notes
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