(tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)
Chemical Structure Depiction of
(tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)
(tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 0KPI-0013 |
| Compound Name: | (tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate) |
| Molecular Weight: | 504.66 |
| Molecular Formula: | C26 H32 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)OCC12CC3CC(C1)CC(C3)(C2)COS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9809 |
| logD: | 5.9809 |
| logSw: | -5.7328 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.449 |
| InChI Key: | VHYGSWGBJYAMHK-UHFFFAOYSA-N |