2-(2,4-dimethoxyphenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone
Chemical Structure Depiction of
2-(2,4-dimethoxyphenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone
2-(2,4-dimethoxyphenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone
Compound characteristics
| Compound ID: | K509-0047 |
| Compound Name: | 2-(2,4-dimethoxyphenyl)-1H-1lambda~6~,3lambda~6~,2-benzodithiazole-1,1,3,3(2H)-tetrone |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C14 H13 N O6 S2 |
| Smiles: | COc1ccc(c(c1)OC)N1S(c2ccccc2S1(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9907 |
| logD: | 1.9907 |
| logSw: | -2.5888 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.814 |
| InChI Key: | BPORWRPWYDOIDF-UHFFFAOYSA-N |