2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K261-2990 |
| Compound Name: | 2-[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide |
| Molecular Weight: | 534.42 |
| Molecular Formula: | C22 H17 Br F N3 O3 S2 |
| Smiles: | C(c1ccccc1)N1C(=NS(c2ccccc12)(=O)=O)SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8926 |
| logD: | 4.8865 |
| logSw: | -4.7387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.165 |
| InChI Key: | UXTNVBFYQHENFN-UHFFFAOYSA-N |