Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cc(N2CCn3cc(SCCc4ccccc4)cc3C2=O)ccc1OCC(C)(C)O- InChIKey
HBRYHXDLKPYETH-UHFFFAOYSA-N- Molecular formula
- C26H30N2O4S
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-7-(phenethylthio)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
- IUPAC
- 2-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-7-(2-phenylethylsulfanyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
Names & synonyms
SCHEMBL1929039HBRYHXDLKPYETH-UHFFFAOYSA-N2-(4-(2-Hydroxy-2-methylpropoxy)-3-methoxyphenyl)-7-(phenethylthio)-3,4-dihydropyrrolo [1,2-a]pyrazin-1(2H)-one2-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-7-(phenethylthio)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
Database identifiers
- PubChem CID
- 57725006
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
Loading…