5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0942 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 417.41 |
| Molecular Formula: | C19 H16 F N3 O5 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4607 |
| logD: | 2.3949 |
| logSw: | -2.9782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.756 |
| InChI Key: | ZDTXXENSIYAACI-UHFFFAOYSA-N |