4-methylphenyl {[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
4-methylphenyl {[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
4-methylphenyl {[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D394-6234 |
| Compound Name: | 4-methylphenyl {[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C18 H14 N2 O5 S |
| Smiles: | Cc1ccc(cc1)OC(CSc1nnc(c2ccc3c(c2)OCO3)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6216 |
| logD: | 3.6216 |
| logSw: | -3.8114 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.234 |
| InChI Key: | RKGMHEZKJRDQGQ-UHFFFAOYSA-N |