Basic information
- Standard SMILES
CCS(=O)(=O)N1CC2CN(c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)CC2C1- InChIKey
AJVQJFSSZXIAGC-UHFFFAOYSA-N- Molecular formula
- C20H23N7O3S
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- 5-(2-Ethylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
- IUPAC
- 5-(5-ethylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
Names & synonyms
SCHEMBL617189AJVQJFSSZXIAGC-UHFFFAOYSA-N5-(2-ethylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
Database identifiers
- PubChem CID
- 66745296
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 715
Related reactions
1 records
Compound notes
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