5-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0920 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-[2-(methylsulfanyl)phenyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C19 H17 N3 O5 S2 |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(Nc1ccccc1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9756 |
| logD: | 2.8406 |
| logSw: | -3.6034 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.736 |
| InChI Key: | FXEQKLASQRPKCQ-UHFFFAOYSA-N |