5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-N-[(pyridin-2-yl)methyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-N-[(pyridin-2-yl)methyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-N-[(pyridin-2-yl)methyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0976 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-N-[(pyridin-2-yl)methyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C18 H16 N4 O5 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(NCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5218 |
| logD: | 1.4813 |
| logSw: | -2.5824 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.299 |
| InChI Key: | NWLOQYIGOIHBNA-UHFFFAOYSA-N |