4-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}benzonitrile
Chemical Structure Depiction of
4-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}benzonitrile
4-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}benzonitrile
Compound characteristics
| Compound ID: | M354-0074 |
| Compound Name: | 4-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}benzonitrile |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C17 H13 N3 O3 S |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(c2ccc(C#N)cc2)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9673 |
| logD: | 2.9673 |
| logSw: | -3.2917 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.727 |
| InChI Key: | XLKNQAYMNRNBKG-UHFFFAOYSA-N |