1,1',3,3'-tetra(butan-2-yl)octahydro-2H,2'H,5H,5'H-[5,5'-bi-2lambda~6~-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole]-2,2,2',2'-tetrone
Chemical Structure Depiction of
1,1',3,3'-tetra(butan-2-yl)octahydro-2H,2'H,5H,5'H-[5,5'-bi-2lambda~6~-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole]-2,2,2',2'-tetrone
1,1',3,3'-tetra(butan-2-yl)octahydro-2H,2'H,5H,5'H-[5,5'-bi-2lambda~6~-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole]-2,2,2',2'-tetrone
Compound characteristics
| Compound ID: | 8011-6854 |
| Compound Name: | 1,1',3,3'-tetra(butan-2-yl)octahydro-2H,2'H,5H,5'H-[5,5'-bi-2lambda~6~-[1,3]dioxolo[4,5-c][1,2,5]thiadiazole]-2,2,2',2'-tetrone |
| Molecular Weight: | 554.73 |
| Molecular Formula: | C22 H42 N4 O8 S2 |
| Smiles: | CCC(C)N1C2C(N(C(C)CC)S1(=O)=O)OC(C1OC3C(N(C(C)CC)S(N3C(C)CC)(=O)=O)O1)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7321 |
| logD: | 3.7321 |
| logSw: | -3.8679 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 103.646 |
| InChI Key: | LRTSTELZGUFNQB-UHFFFAOYSA-N |