Basic information
- Standard SMILES
CCCCC(CC)COC(=O)CCSc1ccc2c(ccc3nnnn32)c1- InChIKey
KNUXVYKGUIJFOC-UHFFFAOYSA-N- Molecular formula
- C20H26N4O2S
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- 3-(1,2,3,9b-Tetraaza-cyclopenta[a]naphthalen-7-ylsulfanyl)-propionic acid 2-ethyl-hexyl ester
- IUPAC
- 2-ethylhexyl 3-(tetrazolo[1,5-a]quinolin-7-ylsulfanyl)propanoate
Names & synonyms
SCHEMBL1598478KNUXVYKGUIJFOC-UHFFFAOYSA-N3-(1,2,3,9b-Tetraaza-cyclopenta[a]naphthalen-7-ylsulfanyl)-propionic acid 2-ethyl-hexyl ester
Database identifiers
- PubChem CID
- 67090686
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 467
Related reactions
3 records
Compound notes
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