5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-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-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0923 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 469.39 |
| Molecular Formula: | C19 H14 F3 N3 O6 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9131 |
| logD: | 3.7661 |
| logSw: | -4.1395 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.371 |
| InChI Key: | HCTJYQZQWJOKCL-UHFFFAOYSA-N |