N-(2H-1,3-benzodioxol-5-yl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0844 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C20 H19 N3 O7 S |
| Smiles: | CN1C(=CC(c2cc(ccc2OC)OC)=NS1(=O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5357 |
| logD: | 1.8515 |
| logSw: | -3.2241 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.608 |
| InChI Key: | BOLPQRHNVXGNSA-UHFFFAOYSA-N |