Basic information
- Standard SMILES
COCC1CCCN1c1ncc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1C- InChIKey
GSXMMDBUDVBTLS-UHFFFAOYSA-N- Molecular formula
- C20H23N5O4S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.14707541
Names & identifiers
- Preferred name
- 4-(5-{6-[2-(Methoxymethyl)pyrrolidin-1-yl]-5-methylpyridin-3-yl}-1,2,4-oxadiazol-3-yl)benzenesulfonamide
- IUPAC
- 4-[5-[6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
Names & synonyms
SCHEMBL2805579GSXMMDBUDVBTLS-UHFFFAOYSA-N4-(5-{6-[2-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyridin-3-yl}-1,2,4-oxadiazol-3-yl)benzenesulfonamide
Database identifiers
- PubChem CID
- 25256472
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 667
Related reactions
1 records
Compound notes
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