S-(4-methylphenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbothioate
Chemical Structure Depiction of
S-(4-methylphenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbothioate
S-(4-methylphenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbothioate
Compound characteristics
| Compound ID: | D337-1260 |
| Compound Name: | S-(4-methylphenyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carbothioate |
| Molecular Weight: | 353.39 |
| Molecular Formula: | C19 H15 N O4 S |
| Smiles: | Cc1ccc(cc1)SC(c1cc(c2ccc3c(c2)OCCO3)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1701 |
| logD: | 4.1701 |
| logSw: | -4.2737 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.597 |
| InChI Key: | GJIYUJXZDVNHHM-UHFFFAOYSA-N |