[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Chemical Structure Depiction of
[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
Compound characteristics
| Compound ID: | S342-0006 |
| Compound Name: | [5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | CC1C(=CN(Cc2ccccc2)S(N=1)(=O)=O)C(=O)OCc1nc(c2ccccc2C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.7084 |
| logD: | 2.7084 |
| logSw: | -3.3208 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.024 |
| InChI Key: | SMDSSDDZXADTTJ-UHFFFAOYSA-N |