3-[3-(2H-1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[3-(2H-1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1-benzopyran-2-one
3-[3-(2H-1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K243-0211 |
| Compound Name: | 3-[3-(2H-1,3-benzodioxol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 404.4 |
| Molecular Formula: | C20 H12 N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc2n1N=C(CS2)C1=Cc2ccccc2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 3.5817 |
| logD: | 3.5817 |
| logSw: | -3.8206 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.995 |
| InChI Key: | LXBKKVCKZJYGAX-UHFFFAOYSA-N |