3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-3047 |
| Compound Name: | 3-{[(3-chlorophenyl)methyl]sulfanyl}-4-ethyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 366.89 |
| Molecular Formula: | C16 H15 Cl N2 O2 S2 |
| Smiles: | CCN1C(=NS(c2ccccc12)(=O)=O)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1676 |
| logD: | 4.1676 |
| logSw: | -4.2887 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.709 |
| InChI Key: | KEHXPSOMFYDSIM-UHFFFAOYSA-N |