3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-3054 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C18 H20 N2 O2 S2 |
| Smiles: | CCN1C(=NS(c2ccccc12)(=O)=O)SCc1cc(C)ccc1C |
| Stereo: | ACHIRAL |
| logP: | 4.7397 |
| logD: | 4.7397 |
| logSw: | -4.4811 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.709 |
| InChI Key: | KZZDHMHZMPLXCL-UHFFFAOYSA-N |