Basic information
- Standard SMILES
COc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1Cl- InChIKey
APGBAJRVDDZEKF-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O3S
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.0491912
Names & identifiers
- Preferred name
- 2-[(3-Chloro-4-methoxybenzyl)thio]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
- IUPAC
- 2-[(3-chloro-4-methoxyphenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
Names & synonyms
oxadiazole derivative, 20kCHEMBL470167SCHEMBL3490516BDBM31570APGBAJRVDDZEKF-UHFFFAOYSA-N2-[(3-chloro-4-methoxybenzyl)thio]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
Database identifiers
- PubChem CID
- 44590377
- ChEMBL
CHEMBL470167
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
2 records
Compound notes
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