Basic information
- Standard SMILES
COc1ccc(Cc2nsc(S(=O)(=O)c3ccc(C)cc3)n2)cc1- InChIKey
PQKZEHYLBJPPHD-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3S2
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.06023472
Names & identifiers
- Preferred name
- 3-(4-Methoxy-benzyl)-5-(toluene-4-sulfonyl)-[1,2,4]thiadiazole
- IUPAC
- 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
Names & synonyms
SCHEMBL1081206PQKZEHYLBJPPHD-UHFFFAOYSA-NDB-2118563-(4-Methoxybenzyl)-5-tosyl-1,2,4-thiadiazole3-(4-methoxy-benzyl)-5-(toluene-4-sulfonyl)-[1,2,4]thiadiazole1191998-57-8
Database identifiers
- PubChem CID
- 66899663
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 492
Related reactions
1 records
Compound notes
Loading…