[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0376 |
| Compound Name: | [3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 482.47 |
| Molecular Formula: | C22 H18 N4 O7 S |
| Smiles: | CC1C(=CN(Cc2ccccc2)S(N=1)(=O)=O)C(=O)OCc1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.8744 |
| logD: | 2.8744 |
| logSw: | -3.275 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 111.815 |
| InChI Key: | XKESFPJQCUABIN-UHFFFAOYSA-N |