Basic information
- Standard SMILES
CCN(CC)Cc1sc(-c2nc(-c3cc(C)c(O)c(OC)c3)no2)cc1C- InChIKey
BAHFFADTIPFTRU-UHFFFAOYSA-N- Molecular formula
- C20H25N3O3S
- Average molar mass
- 387.5 g/mol
- Monoisotopic mass
- 387.16166284
Names & identifiers
- Preferred name
- 4-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-2-methoxy-6-methyl-phenol
- IUPAC
- 4-[5-[5-(diethylaminomethyl)-4-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]-2-methoxy-6-methylphenol
Names & synonyms
SCHEMBL2065671BAHFFADTIPFTRU-UHFFFAOYSA-N4-[5-(5-Diethylaminomethyl-4-methyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-2-methoxy-6-methyl-phenol
Database identifiers
- PubChem CID
- 136377328
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 468
Related reactions
1 records
Compound notes
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