Basic information
- Standard SMILES
O=c1c(NCCCCCCSc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O- InChIKey
QURKTABOTBNIPF-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O2S
- Average molar mass
- 415.9 g/mol
Names & identifiers
- Preferred name
- 3-[6-(4-Chlorophenylsulfanyl)-hexylamino]-4-(pyridin-4-yl-amino)-cyclobut-3-ene-1,2-dione
- IUPAC
- 3-[6-(4-chlorophenyl)sulfanylhexylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL4023507QURKTABOTBNIPF-UHFFFAOYSA-N3-[6-(4-Chlorophenylsulfanyl)-hexylamino]-4-(pyridin-4-yl-amino)-cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 11611389
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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